ENTRY D00042 Drug ATOM 109 1 Z Co 15.2166 -11.6347 #+ 2 N2x N 13.8876 -10.3735 3 N1y N 13.8876 -13.0312 #- 4 N2x N 16.5904 -10.4185 5 N2x N 16.5604 -13.0011 6 N5x N 17.3304 -21.7582 7 C1z C 12.6641 -10.5685 8 C2y C 14.1054 -9.1573 9 C1y C 12.6641 -12.8509 10 C2y C 14.0903 -14.2548 11 C2y C 16.3276 -9.1947 12 C2y C 17.8366 -10.5311 13 C2y C 16.3427 -14.2097 14 C2y C 17.8066 -12.8359 15 C8y C 18.4941 -22.1261 16 C8x C 16.6171 -22.7493 17 C1z C 12.1008 -9.4499 18 C1a C 11.4477 -10.8990 19 C1y C 12.9943 -8.5790 20 C2y C 15.2240 -8.7369 21 C1y C 12.1008 -13.9545 22 C1z C 12.9943 -14.8330 23 C2y C 15.2240 -14.6902 24 C1z C 17.4088 -8.5790 25 C1y C 18.3322 -9.3974 26 C2x C 18.2947 -11.6798 27 C1y C 17.4238 -14.8030 28 C1z C 18.3322 -13.9545 29 C8y C 18.4865 -23.3499 30 C8x C 19.5452 -21.5255 31 N4y N 17.3304 -23.7327 32 C1b C 9.2522 -9.4425 33 C1a C 11.7705 -8.2413 34 C1b C 13.0168 -7.3404 35 C1a C 15.2166 -7.4830 36 C1b C 10.7645 -14.0821 37 C1b C 12.6293 -17.0442 38 C1a C 13.8931 -17.5907 39 C1a C 15.2166 -15.9290 40 C1b C 17.4012 -7.3254 41 C1a C 15.9974 -6.2264 42 C1b C 19.5784 -9.3900 43 C1b C 17.5514 -16.0416 44 C1a C 19.5333 -13.6393 45 C1a C 18.7900 -15.1256 46 C8x C 19.5452 -23.9580 47 C8y C 20.6038 -22.1261 48 C1y C 11.7386 -25.9158 49 C5a C 8.6441 -8.3689 50 C1b C 11.9508 -6.7173 51 C5a C 10.3290 -15.2308 52 C1b C 11.4081 -17.3873 53 C5a C 18.4748 -6.7023 54 C1b C 20.1791 -8.3088 55 C1b C 18.6775 -16.5521 56 C8y C 20.6038 -23.3499 57 C1a C 21.6623 -21.5255 58 C1y C 11.3707 -24.7447 59 O2x O 10.6799 -26.5165 60 N1a N 7.4053 -8.4239 61 O5a O 9.2672 -7.3027 62 C5a C 11.9658 -5.4711 63 N1a N 9.1054 -15.4335 64 O5a O 11.1100 -16.1768 65 C5a C 11.4007 -18.6336 66 N1a N 18.4674 -5.4561 67 O5a O 19.5560 -7.3178 68 C5a C 21.4253 -8.3014 69 C5a C 18.7977 -17.7833 70 C1a C 21.6623 -23.9580 71 C1y C 10.1395 -24.7297 72 O1a O 12.0989 -23.7687 73 C1y C 9.7641 -25.8858 74 N1a N 10.8923 -4.8477 75 O5a O 13.0468 -4.8628 76 N1b N 10.3271 -19.2567 77 O5a O 12.4593 -19.2643 78 N1a N 22.0410 -7.2202 79 O5a O 22.0558 -9.3824 80 N1a N 17.7842 -18.4966 81 O5a O 19.9387 -18.3015 82 O2b O 9.4336 -23.7312 83 C1b C 8.5103 -26.3062 84 C1b C 10.3271 -20.5406 85 P1b P 8.0748 -23.1306 86 O1a O 8.2551 -27.5975 87 C1c C 9.2085 -21.1861 88 O2b O 9.2159 -22.4700 89 O1c O 6.9338 -22.4700 #- 90 O1c O 7.1439 -24.0615 91 C1a C 8.1049 -20.5406 92 C1y C 22.8073 -12.6701 93 O2x O 23.8282 -11.9268 94 C1y C 23.2050 -13.8713 95 C1y C 24.8793 -12.7152 96 C1y C 24.4813 -13.8713 97 O1a O 22.7922 -15.0874 98 N4y N 26.0654 -12.3322 99 O1a O 25.0896 -14.9224 100 C8y C 27.0491 -13.0154 101 C8x C 26.5085 -11.0409 102 C8y C 28.1902 -12.1746 103 N5x N 27.1691 -14.3293 104 N5x N 27.8449 -11.0485 105 C8y C 29.3539 -12.6925 106 C8x C 28.4003 -14.8697 107 N5x N 29.5039 -14.0589 108 N1a N 30.3748 -11.9268 109 C1b C 21.4859 -11.6156 #- BOND 119 1 1 3 1 2 2 7 1 3 2 8 2 4 3 9 1 5 3 10 1 6 4 11 1 7 4 12 2 8 5 13 2 9 5 14 1 10 6 15 1 11 6 16 2 12 7 17 1 13 7 18 1 #Down 14 8 19 1 15 8 20 1 16 9 21 1 17 10 22 1 18 10 23 2 19 11 24 1 20 12 25 1 21 12 26 1 22 13 27 1 23 14 28 1 24 15 29 2 25 15 30 1 26 16 31 1 27 17 32 1 #Up 28 17 33 1 #Down 29 19 34 1 #Down 30 20 35 1 31 21 36 1 #Up 32 22 37 1 #Down 33 22 38 1 #Up 34 23 39 1 35 24 40 1 #Up 36 24 41 1 #Down 37 25 42 1 #Down 38 27 43 1 #Down 39 28 44 1 40 28 45 1 41 29 46 1 42 30 47 2 43 48 31 1 #Up 44 32 49 1 45 34 50 1 46 36 51 1 47 37 52 1 48 40 53 1 49 42 54 1 50 43 55 1 51 46 56 2 52 47 57 1 53 48 58 1 54 48 59 1 55 49 60 1 56 49 61 2 57 50 62 1 58 51 63 1 59 51 64 2 60 52 65 1 61 53 66 1 62 53 67 2 63 54 68 1 64 55 69 1 65 56 70 1 66 58 71 1 67 58 72 1 #Up 68 73 59 1 69 62 74 1 70 62 75 2 71 65 76 1 72 65 77 2 73 68 78 1 74 68 79 2 75 69 80 1 76 69 81 2 77 71 82 1 #Up 78 73 83 1 #Down 79 76 84 1 80 82 85 1 81 83 86 1 82 84 87 1 83 85 88 1 84 85 89 1 85 85 90 2 86 87 91 1 #Down 87 7 9 1 88 11 20 2 89 13 23 1 90 14 26 2 91 17 19 1 92 21 22 1 93 24 25 1 94 27 28 1 95 29 31 1 96 47 56 1 97 71 73 1 98 87 88 1 99 92 93 1 100 92 94 1 101 93 95 1 102 94 96 1 103 94 97 1 #Down 104 95 98 1 #Up 105 96 99 1 #Down 106 98 100 1 107 98 101 1 108 100 102 2 109 100 103 1 110 101 104 2 111 102 105 1 112 103 106 2 113 105 107 2 114 105 108 1 115 95 96 1 116 102 104 1 117 106 107 1 118 92 109 1 #Up 119 1 109 1 ///