ENTRY C11469 Compound ATOM 84 1 N1b N 41.1374 -15.8639 2 C7a C 41.9619 -15.2279 3 O7a O 43.0604 -15.8639 4 C2y C 39.3760 -16.1464 5 C1b C 34.0823 -17.0254 6 C2b C 35.1807 -16.3193 7 S3a S 32.9906 -16.3893 8 C1z C 37.7194 -15.6941 9 C1x C 38.4931 -14.9381 10 C5x C 39.6977 -14.9381 11 C2y C 36.4442 -16.3303 12 C2y C 38.1038 -16.9717 13 O5x O 40.6457 -14.0947 14 O1a O 36.4422 -14.9947 15 C0 C 39.6948 -16.6513 16 C1y C 37.2720 -17.8052 17 C0 C 38.4961 -18.1919 18 C0 C 39.6281 -18.6352 19 C2x C 40.9087 -19.0148 20 C2x C 41.3095 -18.1259 21 C0 C 40.4739 -17.2239 22 S3a S 31.8989 -17.0254 23 S3a S 30.8074 -16.3893 24 C1a C 29.7159 -17.0254 25 O2a O 37.2547 -19.3211 26 C1b C 29.0060 -23.4651 27 N1b N 30.1118 -22.8221 28 C1a C 27.8933 -22.8221 29 C1y C 33.3915 -19.1460 30 C1y C 31.8408 -18.9412 31 C1y C 32.6782 -20.2413 32 C1y C 34.3728 -19.5994 33 C1y C 35.8608 -20.0506 34 O2x O 34.6216 -18.6167 35 C1a C 32.8130 -18.1027 36 N1b N 30.6385 -19.4359 37 C1y C 25.5555 -18.4767 38 C1y C 24.0045 -18.2789 39 C1y C 24.8422 -19.5790 40 C1x C 26.5296 -18.9300 41 C1y C 28.0176 -19.3884 42 O2x O 26.7855 -17.9545 43 C1a C 24.9699 -17.4404 44 S2a S 22.7599 -18.9220 45 O1a O 24.8212 -20.9783 46 O2a O 29.3187 -18.8038 47 O2x O 15.5606 -22.6938 48 C1y C 14.3843 -22.1779 49 C1y C 13.2574 -23.4710 50 C1y C 14.5967 -23.2166 51 C1y C 16.2402 -23.8004 52 C1y C 17.1818 -22.3113 53 C1a C 13.0981 -22.2052 54 O1a O 11.8803 -23.3215 55 O2a O 14.0518 -24.5025 56 C1a C 12.7900 -25.0604 57 O1a O 16.2648 -25.2007 58 O2a O 17.1182 -20.8761 59 C8y C 18.3030 -18.8143 60 C8y C 18.3030 -20.0793 61 C8y C 19.3975 -20.7151 62 C8y C 20.4780 -20.0793 63 C8y C 20.4780 -18.8143 64 C8y C 19.3975 -18.1855 65 C1a C 19.3921 -16.9276 66 C5a C 21.5770 -18.1863 67 O2a O 21.5770 -20.7143 68 O2a O 19.3921 -21.9801 69 X I 17.2049 -18.1848 70 O5a O 21.5782 -16.9284 71 C1a C 22.6539 -20.0915 72 O2a O 35.2988 -21.0063 73 O2x O 33.6230 -22.7219 74 C1x C 32.4467 -22.2131 75 C1y C 31.3198 -23.4992 76 C1y C 32.6591 -23.2449 77 C1x C 34.3026 -23.8285 78 C1y C 35.2442 -22.3395 79 O2a O 32.1352 -24.4813 80 C1a C 30.8593 -25.0462 81 O1a O 31.6012 -20.1012 82 O6a O 41.9214 -13.8293 83 C1a C 44.1534 -15.2305 84 C1a C 20.6809 -22.6801 BOND 90 1 40 41 1 2 10 4 1 3 41 42 1 4 18 19 1 5 37 43 1 6 5 6 1 7 38 44 1 8 19 20 2 9 39 45 1 10 7 22 1 11 41 46 1 12 22 23 1 13 47 52 1 14 15 21 3 15 47 48 1 16 23 24 1 17 48 49 1 18 49 50 1 19 16 25 1 #Down 20 50 51 1 21 8 11 1 22 51 52 1 23 48 53 1 24 20 21 1 25 49 54 1 26 11 6 2 27 50 55 1 28 26 27 1 29 55 56 1 30 11 12 1 31 51 57 1 32 26 28 1 33 52 58 1 34 1 2 1 35 29 34 1 36 4 12 2 37 29 30 1 38 5 7 1 39 30 31 1 40 10 13 2 41 31 32 1 42 4 1 1 43 32 33 1 44 8 14 1 #Down 45 33 34 1 46 8 15 1 47 29 35 1 48 59 60 2 49 60 61 1 50 61 62 2 51 62 63 1 52 63 64 2 53 64 59 1 54 64 65 1 55 63 66 1 56 62 67 1 57 61 68 1 58 60 58 1 59 59 69 1 60 66 44 1 61 66 70 2 62 67 71 1 63 46 36 1 64 33 25 1 65 32 72 1 66 8 9 1 67 73 78 1 68 30 36 1 69 73 74 1 70 12 16 1 71 74 75 1 72 37 42 1 73 75 76 1 74 2 3 1 75 76 77 1 76 37 38 1 77 77 78 1 78 16 17 1 79 76 79 1 80 38 39 1 81 79 80 1 82 78 72 1 83 75 27 1 84 9 10 1 85 31 81 1 86 2 82 2 87 39 40 1 88 3 83 1 89 17 18 3 90 68 84 1 ///