Marvin 02211111202D 52 57 0 0 1 0 999 V2000 12.5180 -4.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7839 -4.3770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1509 -2.8568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1967 -3.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1569 -5.3691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1051 -3.5681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1450 -5.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1908 -3.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1111 -3.0401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1569 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1450 -6.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5180 -7.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7839 -7.4172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1967 -8.2260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1051 -8.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1110 -8.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1907 -8.7540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1509 -8.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0031 -6.2014 0.0000 Fe 0 7 0 0 0 0 0 0 0 0 0 0 15.4200 -5.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4198 -6.5641 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 16.0943 -5.9773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0943 -6.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6680 -6.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1028 -5.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4864 -5.3673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0071 -5.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 -6.0690 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 13.6782 -5.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3559 -6.5419 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 14.1024 -7.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6136 -7.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6247 -7.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0067 -6.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3466 -4.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7284 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5235 -3.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8149 -5.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9401 -5.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4806 -5.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7644 -7.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7867 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5131 -7.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5170 -2.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1156 -6.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7494 -9.7475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7848 -9.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1862 -5.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5524 -2.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5739 -4.1628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1544 -2.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3658 -7.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 4 9 1 0 0 0 0 6 8 1 0 0 0 0 17 18 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 33 1 0 0 0 0 27 19 1 0 0 0 0 19 34 1 0 0 0 0 28 19 1 0 0 0 0 30 19 1 0 0 0 0 26 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 3 37 1 1 0 0 0 22 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 2 40 1 1 0 0 0 33 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 13 43 1 1 0 0 0 4 44 2 0 0 0 0 10 45 2 0 0 0 0 16 46 2 0 0 0 0 15 47 2 0 0 0 0 7 48 2 0 0 0 0 8 49 2 0 0 0 0 2 50 1 1 0 0 0 3 51 1 1 0 0 0 13 52 1 1 0 0 0 M CHG 4 19 -3 21 1 28 1 30 1 M END