Ketcher 04042221422D 1 1.00000 0.00000 0 240243 0 0 0 999 V2000 -27.5481 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -26.6798 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.8117 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.9434 -1.9005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -24.0754 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.2073 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.3390 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.4710 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6029 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7347 -1.9005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.8665 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9985 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1303 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -25.8117 -0.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.2073 -2.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.6029 -0.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.0754 -0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2622 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3940 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5260 -1.9005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6579 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7898 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0534 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1851 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3174 -1.9005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.9985 -2.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3940 -0.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7898 -2.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1851 -0.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9217 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4490 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5809 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7127 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9765 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 -1.9005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3721 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 -1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5809 -2.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9765 -0.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3721 -2.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 -1.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 -0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6921 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4221 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 -1.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1519 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0169 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -2.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4221 -0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6114 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4765 -1.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3416 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2065 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0714 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9362 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8013 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6662 -1.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5310 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3959 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2610 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1259 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0169 -2.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6114 -0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2065 -2.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8013 -0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3959 -2.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9908 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8557 -1.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7206 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5855 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4504 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3155 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1804 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0452 -1.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.9104 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7753 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6403 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.5051 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3700 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2349 -1.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9908 -0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5855 -2.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1804 -0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7753 -2.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3700 -0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0997 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9650 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8298 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.6947 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5598 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4247 -1.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.9650 -2.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2897 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1545 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0195 -1.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.8843 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7492 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5598 -0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1545 -2.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.7492 -0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6141 -1.8986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6579 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4490 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1519 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3416 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5310 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7206 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9104 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0997 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2897 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8664 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.6797 -2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.5459 -3.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.8136 -3.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.4710 -2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6048 -3.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6048 -4.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6046 -3.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2622 -2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3960 -3.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3960 -4.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3958 -3.4008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -23.2092 0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.2092 1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0002 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0002 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1340 1.6016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.1340 2.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7917 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7917 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9255 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9255 2.6002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -22.3430 1.6037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -24.0754 1.6037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2679 3.1019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.0002 3.1019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0534 -2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3186 -4.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1847 -4.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1847 -3.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3186 -2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4524 -3.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4524 -4.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5861 -4.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5828 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3152 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 -2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 -4.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -4.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -3.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 -2.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 -3.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 -4.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5608 3.1003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 3.1003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0181 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0181 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8843 1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8843 2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7504 3.1003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0181 3.1003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7467 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6129 -3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6130 -4.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6131 -3.3989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9361 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8023 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8022 -4.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8025 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1259 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2597 -3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9921 -3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5869 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5869 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4531 1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4531 2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3193 3.1003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5869 3.1003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3155 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4493 -3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1817 -3.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7766 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7766 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6427 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6427 2.6002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.5051 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3713 -3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3713 -4.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2374 -4.8992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.5051 -4.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9660 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9660 1.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9662 0.0997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.6947 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8286 -3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5609 -3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5609 -4.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1558 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1558 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0221 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0221 2.6002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.8842 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7503 -3.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.5479 -0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.4139 0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.6818 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.6838 1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.8188 1.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.8208 2.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.9558 3.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.8512 4.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.8731 4.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.3731 3.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.0422 2.6976 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -25.3053 4.9899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -24.5982 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.7071 5.2430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -25.8345 3.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.8882 4.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -24.7546 6.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 8 7 1 6 0 0 8 9 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 3 14 2 0 0 0 6 15 2 0 0 0 9 16 2 0 0 0 5 17 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 21 22 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 12 26 2 0 0 0 19 27 2 0 0 0 22 28 2 0 0 0 24 29 2 0 0 0 5 4 1 1 0 0 21 20 1 1 0 0 2 1 1 6 0 0 18 13 1 6 0 0 23 30 1 6 0 0 22 30 1 0 0 0 31 25 1 1 0 0 31 32 1 0 0 0 32 33 1 0 0 0 34 33 1 6 0 0 34 35 1 0 0 0 35 36 1 0 0 0 37 36 1 1 0 0 37 38 1 0 0 0 38 39 1 0 0 0 40 39 1 0 0 0 40 41 1 0 0 0 32 42 2 0 0 0 35 43 2 0 0 0 38 44 2 0 0 0 41 45 1 0 0 0 46 45 1 1 0 0 41 47 2 0 0 0 46 48 1 0 0 0 48 49 1 0 0 0 50 49 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 53 52 1 1 0 0 53 54 1 0 0 0 48 55 2 0 0 0 51 56 2 0 0 0 54 57 1 0 0 0 58 57 1 6 0 0 58 59 1 0 0 0 59 60 1 0 0 0 61 60 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 67 66 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 70 69 1 6 0 0 54 71 2 0 0 0 59 72 2 0 0 0 62 73 2 0 0 0 65 74 2 0 0 0 68 75 2 0 0 0 70 76 1 0 0 0 76 77 1 0 0 0 78 77 1 1 0 0 78 79 1 0 0 0 79 80 1 0 0 0 81 80 1 6 0 0 81 82 1 0 0 0 82 83 1 0 0 0 84 83 1 1 0 0 84 85 1 0 0 0 85 86 1 0 0 0 87 86 1 6 0 0 87 88 1 0 0 0 88 89 1 0 0 0 76 90 2 0 0 0 79 91 2 0 0 0 82 92 2 0 0 0 85 93 2 0 0 0 88 94 2 0 0 0 95 89 1 1 0 0 95 96 1 0 0 0 96 97 1 0 0 0 98 97 1 6 0 0 98 99 1 0 0 0 99100 1 0 0 0 96101 2 0 0 0 102100 1 1 0 0 102103 1 0 0 0 103104 1 0 0 0 105104 1 6 0 0 105106 1 0 0 0 99107 2 0 0 0 103108 2 0 0 0 106109 2 0 0 0 106110 1 0 0 0 21111 1 0 0 0 31112 1 0 0 0 37113 1 0 0 0 46114 1 0 0 0 53115 1 0 0 0 61116 1 1 0 0 67117 1 1 0 0 78118 1 0 0 0 84119 1 0 0 0 95120 1 0 0 0 102121 1 0 0 0 11 10 1 1 0 0 64 63 1 6 0 0 11122 1 0 0 0 2123 1 0 0 0 123124 1 0 0 0 123125 1 0 0 0 8126 1 0 0 0 126127 1 0 0 0 127128 1 0 0 0 127129 1 0 0 0 18130 1 0 0 0 130131 1 0 0 0 131132 2 0 0 0 131133 1 0 0 0 17134 1 0 0 0 134135 1 0 0 0 122136 1 0 0 0 136137 1 0 0 0 137138 1 0 0 0 138139 1 0 0 0 111140 1 0 0 0 140141 1 0 0 0 141142 1 0 0 0 142143 1 0 0 0 135144 1 0 0 0 135145 2 0 0 0 139146 1 0 0 0 139147 2 0 0 0 23148 1 0 0 0 149150 1 0 0 0 150151 2 0 0 0 151152 1 0 0 0 152153 2 0 0 0 153154 1 0 0 0 154149 2 0 0 0 148151 1 0 0 0 154155 1 0 0 0 112156 1 0 0 0 112157 1 0 0 0 34158 1 0 0 0 159160 1 0 0 0 160161 2 0 0 0 161162 1 0 0 0 162163 2 0 0 0 163164 1 0 0 0 164159 2 0 0 0 158161 1 0 0 0 113165 1 0 0 0 165166 1 0 0 0 165167 1 0 0 0 40168 1 6 0 0 114169 1 0 0 0 169170 1 0 0 0 170171 1 0 0 0 171172 1 0 0 0 172173 1 0 0 0 172174 2 0 0 0 50175 1 6 0 0 115176 1 0 0 0 176177 1 0 0 0 177178 1 0 0 0 178179 1 0 0 0 179180 1 0 0 0 179181 2 0 0 0 58182 1 0 0 0 182183 1 0 0 0 183184 2 0 0 0 183185 1 0 0 0 64186 1 0 0 0 186187 1 0 0 0 187188 1 0 0 0 187189 1 0 0 0 70190 1 0 0 0 190191 1 0 0 0 190192 1 0 0 0 118193 1 0 0 0 193194 1 0 0 0 194195 1 0 0 0 195196 1 0 0 0 196197 1 0 0 0 196198 2 0 0 0 81199 1 0 0 0 199200 1 0 0 0 199201 1 0 0 0 119202 1 0 0 0 202203 1 0 0 0 203204 1 0 0 0 204205 1 0 0 0 87206 1 0 0 0 206207 1 0 0 0 207208 1 0 0 0 208209 1 0 0 0 208210 2 0 0 0 120211 1 0 0 0 211212 2 0 0 0 211213 1 0 0 0 98214 1 0 0 0 214215 1 6 0 0 214216 1 0 0 0 216217 1 0 0 0 121218 1 0 0 0 218219 1 0 0 0 219220 1 0 0 0 220221 1 0 0 0 105222 1 0 0 0 222223 1 0 0 0 1224 1 0 0 0 224225 2 0 0 0 224226 1 0 0 0 226227 1 0 0 0 227228 1 0 0 0 228229 1 0 0 0 229230 1 6 0 0 230231 1 0 0 0 231232 1 0 0 0 232233 1 0 0 0 233234 1 0 0 0 234230 1 0 0 0 231235 1 0 0 0 235236 1 0 0 0 236237 1 0 0 0 237232 1 0 0 0 231238 1 1 0 0 232239 1 1 0 0 236240 2 0 0 0 M CHG 8 1 1 110 -1 143 1 147 1 174 1 181 1 198 1 205 1 M CHG 1 221 1 M END > CHEBI:190686 > HA Binder_BHP3 > 310 helical peptide with hyaluronic acid binding domains > 2 > C148H258N49O40S > 3396.050 > 3393.93430 > 7 > [NH2+]([C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)[O-])CO)=O)CCCC[NH3+])=O)[C@@H](C)CC)=O)CC(=O)N)=O)CCC(N)=O)=O)CCCC[NH3+])=O)C(C)O)=O)CCCNC(N)=[NH2+])=O)C(C)C)=O)C)=O)CC(C)C)=O)C)=O)CC(=O)N)=O)CCCNC(N)=[NH2+])=O)C)=O)CCCNC(N)=[NH2+])=O)C)=O)CC(C)C)=O)CC1=CC=CC=C1)=O)C(O)C)=O)CC2=CC=C(C=C2)O)CCCC[NH3+])=O)CC(=O)N)=O)CCCNC(N)=[NH2+])=O)CC(C)C)=O)CCC(N)=O)=O)C(C)O)C(=O)CCCC[C@@H]3[C@]4([C@@](CS3)(NC(N4)=O)[H])[H] > InChI=1S/C148H251N49O40S/c1-18-74(10)112(139(231)179-87(38-26-29-55-151)126(218)190-102(68-198)143(235)236)194-137(229)101(67-109(156)207)188-127(219)92(49-51-105(152)203)177-122(214)86(37-25-28-54-150)180-141(233)114(80(16)200)195-129(221)91(42-33-59-168-147(163)164)178-138(230)111(73(8)9)193-120(212)78(14)172-130(222)94(60-70(2)3)182-119(211)77(13)171-132(224)99(65-107(154)205)186-124(216)89(40-31-57-166-145(159)160)174-117(209)75(11)169-121(213)88(39-30-56-165-144(157)158)173-118(210)76(12)170-131(223)95(61-71(4)5)184-134(226)97(63-82-34-20-19-21-35-82)189-142(234)115(81(17)201)196-136(228)98(64-83-45-47-84(202)48-46-83)185-123(215)85(36-24-27-53-149)175-135(227)100(66-108(155)206)187-125(217)90(41-32-58-167-146(161)162)176-133(225)96(62-72(6)7)183-128(220)93(50-52-106(153)204)181-140(232)113(79(15)199)192-110(208)44-23-22-43-104-116-103(69-238-104)191-148(237)197-116/h19-21,34-35,45-48,70-81,85-104,111-116,198-202H,18,22-33,36-44,49-69,149-151H2,1-17H3,(H2,152,203)(H2,153,204)(H2,154,205)(H2,155,206)(H2,156,207)(H,169,213)(H,170,223)(H,171,224)(H,172,222)(H,173,210)(H,174,209)(H,175,227)(H,176,225)(H,177,214)(H,178,230)(H,179,231)(H,180,233)(H,181,232)(H,182,211)(H,183,220)(H,184,226)(H,185,215)(H,186,216)(H,187,217)(H,188,219)(H,189,234)(H,190,218)(H,192,208)(H,193,212)(H,194,229)(H,195,221)(H,196,228)(H,235,236)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)(H2,191,197,237)/p+7/t74-,75-,76-,77-,78-,79?,80?,81?,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104?,111-,112-,113-,114-,115-,116+/m0/s1 > MZITVOWQVIZIHI-BEYLVCHNSA-U $$$$