ENTRY D04492 Drug ATOM 96 1 C1a C 51.4861 -17.2259 2 C6a C 52.6784 -16.5245 3 O6a O 53.9409 -17.2259 4 O6a O 52.6784 -15.1218 5 N1y N 32.5493 -15.1919 6 C5a C 33.8118 -14.4906 7 C1c C 35.0041 -15.1919 8 N1b N 36.1964 -14.4906 9 C5a C 37.4589 -15.1919 10 C1c C 38.6512 -14.4906 11 C1b C 39.8435 -15.1919 12 C1b C 41.1060 -14.4906 13 C1b C 42.2983 -15.1919 14 N1b N 43.4906 -14.4906 15 C2c C 44.7530 -15.1919 16 N1a N 45.9454 -14.4906 17 N2a N 44.7530 -16.5947 18 N1a N 38.6512 -13.0879 19 O5a O 37.4589 -16.5947 20 C1b C 35.0041 -16.5947 21 O5a O 33.8118 -13.0879 22 C1y C 31.2869 -14.6308 23 C1x C 30.3050 -15.6829 24 C1x C 31.0064 -16.8752 25 C1x C 32.4090 -16.5947 26 C5a C 31.0064 -13.2281 27 N1y N 29.6737 -12.8073 28 O5a O 32.0584 -12.3164 29 C1x C 29.2530 -11.4747 30 C1y C 27.7801 -11.4747 31 C1x C 27.3593 -12.8073 32 C1y C 28.4814 -13.6490 33 C5a C 28.4814 -15.0516 34 O1a O 26.9385 -10.3525 35 N1b N 27.2891 -15.7530 36 C1b C 26.0968 -15.0516 37 C5a C 24.9045 -15.7530 38 N1b N 23.7122 -15.0516 39 C1c C 22.5199 -15.7530 40 O5a O 29.6737 -15.7530 41 O5a O 24.9045 -17.1558 42 C5a C 21.3276 -15.0516 43 C1b C 22.5199 -17.1558 44 C8y C 21.3276 -17.8571 45 C8x C 20.0651 -17.2961 46 C8x C 19.1533 -18.2779 47 C8x C 19.7845 -19.4702 48 S2x S 21.1873 -19.1898 49 N1b N 20.1352 -15.7530 50 O5a O 21.3276 -13.6490 51 C1c C 18.9429 -15.0516 52 C5a C 17.7506 -15.7530 53 C1b C 18.9429 -13.6490 54 N1y N 16.5583 -15.0516 55 O5a O 17.7506 -17.1558 56 O1a O 17.7506 -12.9476 57 C1x C 16.5583 -13.6490 58 C8y C 15.2958 -12.9476 59 C8y C 14.1035 -13.6490 60 C1x C 14.1035 -15.0516 61 C1y C 15.2958 -15.7530 62 C8x C 15.2958 -11.5448 63 C8x C 14.1035 -10.8435 64 C8x C 12.9112 -11.5448 65 C8x C 12.9112 -12.9476 66 C5a C 15.2958 -17.1558 67 N1y N 14.1035 -17.8571 68 O5a O 16.4882 -17.8571 69 C1y C 12.7008 -17.8571 70 C1x C 12.2800 -19.1898 71 C1y C 13.4021 -20.0313 72 C1y C 14.5243 -19.1898 73 C5a C 11.4860 -17.1558 74 N1b N 10.2711 -17.8571 75 C1c C 9.0564 -17.1558 76 C1b C 7.8416 -17.8571 77 C1b C 6.6268 -17.1558 78 C1b C 5.4120 -17.8571 79 N1b N 4.1972 -17.1558 80 C2c C 2.9824 -17.8571 81 C1x C 13.5700 -21.4240 82 C1x C 14.8598 -21.9750 83 C1x C 15.9821 -21.1334 84 C1x C 15.8143 -19.7407 85 O5a O 11.4860 -15.7532 86 C6a C 9.0564 -15.7530 87 O6a O 7.8395 -15.0504 88 O6a O 10.2691 -15.0528 89 N1a N 1.7449 -17.1423 90 N2a N 2.9822 -19.2595 91 C1b C 33.7886 -17.2965 92 C1b C 33.7886 -18.6962 93 N1b N 32.5931 -19.3864 94 C2c C 32.5931 -20.7862 95 N1a N 31.3977 -21.4765 96 N2a N 33.8196 -21.4945 BOND 101 1 1 2 1 2 2 3 1 3 2 4 2 4 5 6 1 5 6 7 1 6 7 8 1 7 8 9 1 8 9 10 1 9 10 11 1 10 11 12 1 11 12 13 1 12 13 14 1 13 14 15 1 14 15 16 1 15 15 17 2 16 10 18 1 #Down 17 9 19 2 18 7 20 1 #Up 19 6 21 2 20 5 22 1 21 22 23 1 22 23 24 1 23 24 25 1 24 5 25 1 25 22 26 1 #Up 26 26 27 1 27 26 28 2 28 27 29 1 29 29 30 1 30 30 31 1 31 31 32 1 32 27 32 1 33 32 33 1 #Down 34 30 34 1 #Up 35 33 35 1 36 35 36 1 37 36 37 1 38 37 38 1 39 38 39 1 40 33 40 2 41 37 41 2 42 39 42 1 43 39 43 1 #Up 44 43 44 1 45 44 45 2 46 45 46 1 47 46 47 2 48 47 48 1 49 44 48 1 50 42 49 1 51 42 50 2 52 49 51 1 53 51 52 1 54 51 53 1 #Down 55 52 54 1 56 52 55 2 57 53 56 1 58 54 57 1 59 57 58 1 60 58 59 1 61 59 60 1 62 60 61 1 63 54 61 1 64 58 62 2 65 62 63 1 66 63 64 2 67 64 65 1 68 59 65 2 69 61 66 1 #Up 70 66 67 1 71 66 68 2 72 67 69 1 73 69 70 1 74 70 71 1 75 71 72 1 76 67 72 1 77 69 73 1 78 73 74 1 79 74 75 1 80 75 76 1 81 76 77 1 82 77 78 1 83 78 79 1 84 79 80 1 85 71 81 1 86 81 82 1 87 82 83 1 88 83 84 1 89 72 84 1 90 73 85 2 91 75 86 1 #Up 92 86 87 1 93 86 88 2 94 80 89 1 95 80 90 2 96 20 91 1 97 91 92 1 98 92 93 1 99 93 94 1 100 94 95 1 101 94 96 2 BRACKET 1 49.2100 -18.2700 49.2100 -14.0700 1 55.4400 -14.0700 55.4400 -18.2700 1 x ORIGINAL 1 1 2 3 4 REPEAT 1 ///