ENTRY D00679 Drug ATOM 96 1 C1z C 20.7987 -14.2382 2 N1y N 20.7919 -15.5582 3 C1y C 21.9436 -13.5783 4 O2x O 19.6404 -13.5783 5 O1a O 20.7853 -12.9184 6 C1y C 21.9301 -16.2250 7 C5x C 18.5022 -15.5649 8 N1y N 23.0817 -14.2450 9 C1x C 21.9436 -12.2583 10 C1z C 18.5022 -14.2382 11 C5x C 23.0749 -15.5717 12 C1b C 21.9301 -17.5448 13 O5x O 17.5595 -16.5011 14 C1x C 24.2266 -13.5918 15 C1x C 24.2332 -12.2651 16 N1b N 16.8119 -13.5043 17 C1a C 18.4956 -12.8241 18 O5x O 24.2266 -16.2384 19 C8y C 23.0614 -18.2115 20 C5a C 15.3169 -14.2247 21 C8x C 23.0480 -19.5315 22 C8x C 24.2063 -17.5583 23 C1y C 15.3169 -15.5582 24 O5a O 14.1653 -13.5648 25 C8x C 24.1862 -20.1983 26 C8x C 25.3376 -18.2250 27 C2x C 14.1653 -16.2115 28 C1x C 16.4551 -16.2115 29 C8x C 25.3310 -19.5450 30 C2y C 14.1653 -17.5381 31 N1y N 16.4551 -17.5381 32 C8y C 13.0138 -18.1914 33 C1y C 15.3169 -18.2049 34 C1a C 17.6066 -18.2049 35 C8y C 13.0138 -19.5247 36 C8x C 11.8690 -17.5313 37 C1x C 15.3101 -19.5315 38 C8y C 14.1586 -20.1848 39 C8y C 11.8690 -20.1848 40 C8x C 10.7242 -18.1914 41 C8x C 14.1586 -21.5046 42 N4x N 11.8690 -21.5046 43 C8x C 10.7242 -19.5247 44 C1c C 30.7344 -17.4708 45 C1c C 31.9466 -16.7704 46 C6a C 29.5222 -16.7771 47 O1a O 30.7412 -18.8716 48 C6a C 33.1588 -17.4641 49 O1a O 31.9399 -15.3629 50 O6a O 28.3100 -17.4776 51 O6a O 29.5155 -15.3696 52 O6a O 34.3710 -16.7636 53 O6a O 33.1519 -18.8648 54 C1z C 20.7987 -14.2382 55 N1y N 20.7919 -15.5582 56 C1y C 21.9301 -16.2250 57 C5x C 23.0749 -15.5717 58 O5x O 24.2266 -16.2384 59 N1y N 23.0817 -14.2450 60 C1y C 21.9436 -13.5783 61 C1x C 21.9436 -12.2583 62 C1x C 24.2332 -12.2651 63 C1x C 24.2266 -13.5918 64 C1b C 21.9301 -17.5448 65 C8y C 23.0614 -18.2115 66 C8x C 23.0480 -19.5315 67 C8x C 24.1862 -20.1983 68 C8x C 25.3310 -19.5450 69 C8x C 25.3376 -18.2250 70 C8x C 24.2063 -17.5583 71 C5x C 18.5022 -15.5649 72 O5x O 17.5595 -16.5011 73 C1z C 18.5022 -14.2382 74 O2x O 19.6404 -13.5783 75 N1b N 16.8119 -13.5043 76 C5a C 15.3169 -14.2247 77 C1y C 15.3169 -15.5582 78 C2x C 14.1653 -16.2115 79 C2y C 14.1653 -17.5381 80 C8y C 13.0138 -18.1914 81 C8y C 13.0138 -19.5247 82 C8y C 14.1586 -20.1848 83 C8x C 14.1586 -21.5046 84 N4x N 11.8690 -21.5046 85 C8y C 11.8690 -20.1848 86 C8x C 10.7242 -19.5247 87 C8x C 10.7242 -18.1914 88 C8x C 11.8690 -17.5313 89 C1x C 15.3101 -19.5315 90 C1y C 15.3169 -18.2049 91 N1y N 16.4551 -17.5381 92 C1x C 16.4551 -16.2115 93 C1a C 17.6066 -18.2049 94 O5a O 14.1653 -13.5648 95 C1a C 18.4956 -12.8241 96 O1a O 20.7853 -12.9184 BOND 109 1 44 45 1 2 44 46 1 3 44 47 1 #Up 4 45 48 1 5 45 49 1 #Up 6 46 50 1 7 46 51 2 8 48 52 1 9 48 53 2 10 1 2 1 11 1 3 1 12 1 4 1 13 1 5 1 #Down 14 2 6 1 15 2 7 1 16 3 8 1 17 3 9 1 18 4 10 1 19 6 11 1 20 6 12 1 #Down 21 7 13 2 22 8 14 1 23 9 15 1 24 10 16 1 #Down 25 10 17 1 #Up 26 11 18 2 27 12 19 1 28 16 20 1 29 19 21 2 30 19 22 1 31 23 20 1 #Up 32 20 24 2 33 21 25 1 34 22 26 2 35 23 27 1 36 23 28 1 37 25 29 2 38 27 30 2 39 28 31 1 40 30 32 1 41 30 33 1 42 31 34 1 43 32 35 1 44 32 36 2 45 33 37 1 46 35 38 1 47 35 39 2 48 36 40 1 49 38 41 2 50 39 42 1 51 39 43 1 52 7 10 1 53 8 11 1 54 14 15 1 55 26 29 1 56 31 33 1 57 37 38 1 58 40 43 2 59 41 42 1 60 54 55 1 61 54 60 1 62 54 74 1 63 54 96 1 #Down 64 55 56 1 65 55 71 1 66 60 59 1 67 60 61 1 68 74 73 1 69 56 57 1 70 56 64 1 #Down 71 71 72 2 72 59 63 1 73 61 62 1 74 73 75 1 #Down 75 73 95 1 #Up 76 57 58 2 77 64 65 1 78 75 76 1 79 65 66 2 80 65 70 1 81 77 76 1 #Up 82 76 94 2 83 66 67 1 84 70 69 2 85 77 78 1 86 77 92 1 87 67 68 2 88 78 79 2 89 92 91 1 90 79 80 1 91 79 90 1 92 91 93 1 93 80 81 1 94 80 88 2 95 90 89 1 96 81 82 1 97 81 85 2 98 88 87 1 99 82 83 2 100 85 84 1 101 85 86 1 102 71 73 1 103 59 57 1 104 63 62 1 105 69 68 1 106 91 90 1 107 89 82 1 108 87 86 2 109 83 84 1 BRACKET 1 9.9400 -22.4700 9.9400 -11.4800 1 26.0400 -11.4800 26.0400 -22.4700 1 2 ORIGINAL 1 1 2 6 11 18 8 3 9 15 14 12 19 21 25 29 26 1 22 7 13 10 4 16 20 23 27 30 32 35 38 41 42 39 1 43 40 36 37 33 31 28 34 24 17 5 REPEAT 1 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 1 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 1 86 87 88 89 90 91 92 93 94 95 96 ///