ENTRY D00926 Drug ATOM 102 1 X Cl 50.3279 -23.5014 2 C1y C 39.5722 -29.5878 3 C1x C 39.5115 -28.2456 4 O2x O 40.7243 -30.2558 5 C1z C 40.7427 -27.5938 6 C1y C 41.8857 -29.6039 7 C1y C 41.8949 -28.2617 8 C1a C 39.8150 -26.5077 9 N1a N 41.7058 -26.5208 10 C1a C 43.0453 -30.2719 11 O1a O 43.0637 -27.6100 12 C8y C 37.3497 -25.3159 13 C8y C 38.5062 -24.6485 14 C8y C 36.1926 -24.6558 15 O2a O 37.3580 -26.6508 16 C8x C 38.4989 -23.3064 17 O2x O 39.6557 -25.3086 18 C8x C 36.1853 -23.3212 19 O2x O 35.0286 -25.3086 20 C1y C 36.1979 -28.4156 21 C8y C 37.3348 -22.6391 22 C8y C 40.8199 -24.6411 23 C8y C 33.8643 -24.6485 24 C1y C 36.1979 -29.7576 25 O2x O 35.0339 -27.7483 26 C1y C 37.2975 -20.5243 27 C8y C 40.8199 -23.3064 28 C8x C 41.9767 -25.3011 29 C8y C 32.7076 -25.3086 30 C8x C 33.8569 -23.3064 31 C1y C 35.0486 -30.4401 32 C1y C 33.8696 -28.4304 33 C5x C 38.4469 -19.8494 34 N1x N 36.1483 -19.8567 35 C8x C 41.9767 -22.6315 36 X Cl 39.6557 -22.6242 37 C8x C 43.1261 -24.6411 38 C8x C 31.5506 -24.6558 39 X Cl 32.7000 -26.6435 40 C8x C 32.6927 -22.6391 41 C1y C 33.8768 -29.7800 42 O1a O 35.0412 -31.7673 43 N1x N 39.6112 -20.5243 44 O5x O 38.4396 -18.5147 45 C5x C 34.9913 -20.5316 46 C8y C 43.1261 -23.3064 47 C8y C 31.5434 -23.3212 48 O1a O 32.7126 -30.4326 49 C1y C 40.8305 -19.8494 50 C1y C 33.8347 -19.8643 51 O5x O 34.9841 -21.8664 52 C1y C 44.2755 -22.6242 53 C1y C 30.3790 -22.6391 54 C8y C 40.7679 -18.5147 55 C5x C 41.9174 -20.5167 56 N1x N 32.6778 -20.5392 57 C1y C 44.2680 -20.5243 58 O1a O 45.4323 -23.2991 59 C1y C 30.3716 -20.5465 60 O1a O 29.2149 -23.3064 61 C8x C 41.9249 -17.8472 62 C8x C 39.6039 -17.8472 63 N1x N 43.0740 -19.8419 64 C5x C 31.5285 -19.8716 65 C5x C 45.4250 -19.8494 66 N1b N 29.2075 -19.8791 67 C8y C 41.9249 -16.5051 68 C8x C 39.6039 -16.5124 69 O5x O 31.5909 -18.5369 70 N1x N 45.4175 -18.5147 71 O5x O 46.5816 -20.5243 72 C5a C 28.0507 -20.5392 73 C8y C 43.0889 -15.8524 74 C8y C 40.7605 -15.8375 75 C1y C 44.2531 -17.8472 76 C1c C 26.8938 -19.8716 77 O5a O 28.0433 -21.8737 78 C8y C 44.2458 -16.5124 79 C8y C 43.0816 -14.5104 80 C6a C 46.4927 -16.5644 81 C1b C 26.8865 -18.5369 82 N1b N 25.7296 -20.5316 83 C8x C 45.4026 -15.8375 84 C8x C 44.2310 -13.8355 85 O1a O 41.9174 -13.8355 86 C8y C 45.3953 -14.4955 87 O1a O 46.5445 -13.8134 88 O5x O 41.9208 -21.8830 89 O1a O 40.7552 -14.4429 90 O6a O 47.6827 -17.2570 91 O6a O 46.4972 -15.2008 92 C1a C 25.7267 -21.8829 93 C1c C 25.7012 -17.8621 94 C1a C 24.4841 -18.5745 95 C1a C 25.6926 -16.5097 96 C1b C 33.8310 -17.6810 97 C5a C 35.0048 -16.9989 98 N1a N 36.1772 -17.6715 99 O5a O 35.0011 -15.6143 100 C1b C 32.6764 -27.7509 101 O1a O 31.5141 -28.4312 102 O2a O 37.8151 -30.4432 BOND 110 1 2 3 1 2 2 4 1 3 3 5 1 4 4 6 1 5 5 7 1 6 5 8 1 #Up 7 5 9 1 #Down 8 6 10 1 #Down 9 7 11 1 #Down 10 6 7 1 11 12 13 1 12 12 14 2 13 12 15 1 14 13 16 2 15 13 17 1 16 14 18 1 17 14 19 1 18 20 15 1 #Up 19 16 21 1 20 17 22 1 21 19 23 1 22 20 24 1 23 20 25 1 24 21 26 1 25 22 27 1 26 22 28 2 27 23 29 1 28 23 30 2 29 24 31 1 30 25 32 1 31 26 33 1 32 26 34 1 #Up 33 27 35 2 34 27 36 1 35 28 37 1 36 29 38 2 37 29 39 1 38 30 40 1 39 31 41 1 40 31 42 1 #Up 41 33 43 1 42 33 44 2 43 34 45 1 44 35 46 1 45 38 47 1 46 41 48 1 #Down 47 43 49 1 48 45 50 1 49 45 51 2 50 46 52 1 51 47 53 1 52 49 54 1 53 49 55 1 #Down 54 50 56 1 55 52 57 1 56 52 58 1 #Down 57 53 59 1 58 53 60 1 #Up 59 54 61 1 60 54 62 2 61 55 63 1 62 56 64 1 63 57 65 1 64 59 66 1 #Up 65 61 67 2 66 62 68 1 67 64 69 2 68 65 70 1 69 65 71 2 70 66 72 1 71 67 73 1 72 67 74 1 73 70 75 1 74 72 76 1 75 72 77 2 76 73 78 2 77 73 79 1 78 75 80 1 #Down 79 76 81 1 80 76 82 1 #Down 81 78 83 1 82 79 84 2 83 79 85 1 84 83 86 2 85 86 87 1 86 18 21 2 87 32 41 1 88 37 46 2 89 40 47 2 90 57 63 1 #Down 91 59 64 1 #Down 92 68 74 2 93 75 78 1 94 84 86 1 95 55 88 2 96 74 89 1 97 80 90 1 98 80 91 2 99 82 92 1 100 81 93 1 101 93 94 1 102 93 95 1 103 50 96 1 #Up 104 96 97 1 105 97 98 1 106 97 99 2 107 32 100 1 #Up 108 100 101 1 109 24 102 1 #Down 110 2 102 1 #Up ///