Ketcher 11091515412D 1 1.00000 0.00000 0 72 74 0 0 0 999 V2000 3.2313 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 2.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9226 0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6148 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5098 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9373 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0379 -3.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8026 -3.8722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6677 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5329 -3.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7682 -1.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6677 -2.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7682 -0.8751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4985 -0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6334 -0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2677 1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7682 1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6334 0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4986 1.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0379 1.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0398 1.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 1.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0408 2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0408 0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 1.1230 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0408 1.1230 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6647 1.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3372 -1.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 -1.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 -1.2367 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 -2.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1814 1.8294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9239 1.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 2.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 1.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9239 0.1619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 2.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 0.1620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5193 1.6606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1727 -3.3727 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 -4.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 -3.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4422 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -3.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2881 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1533 -3.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 -3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 -3.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 -3.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 -3.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 -3.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2095 -3.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0748 -3.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9399 -3.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8051 -3.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8052 -4.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0114 -5.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0749 -4.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 -5.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3446 -4.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4794 -5.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6141 -4.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 -5.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 4 32 1 1 0 0 5 4 1 0 0 0 5 33 1 6 0 0 13 10 1 0 0 0 10 9 1 0 0 0 9 7 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 16 14 1 0 0 0 13 12 1 0 0 0 16 15 2 0 0 0 16 21 1 0 0 0 21 19 1 0 0 0 19 17 1 0 0 0 17 23 1 0 0 0 19 18 1 0 0 0 19 20 1 0 0 0 21 22 1 6 0 0 23 30 1 0 0 0 30 24 1 0 0 0 24 31 1 0 0 0 31 25 1 0 0 0 30 26 2 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 31 29 1 0 0 0 32 25 1 0 0 0 33 36 1 0 0 0 36 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 38 1 0 0 0 41 39 2 0 0 0 42 39 1 0 0 0 43 40 2 0 0 0 44 41 1 0 0 0 43 41 1 0 0 0 45 42 2 0 0 0 46 44 2 0 0 0 47 44 1 0 0 0 46 45 1 0 0 0 48 50 1 0 0 0 50 49 2 0 0 0 50 51 1 0 0 0 51 52 2 0 0 0 53 52 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 M CHG 4 27 -1 29 -1 34 -1 35 -1 M END