ENTRY C17550 Compound ATOM 135 1 C1y C 35.0000 -19.6000 2 C1y C 33.8100 -18.9000 3 C1y C 36.1200 -18.9700 4 O2a O 35.0000 -23.0300 5 C1y C 33.8100 -17.5700 6 O2a O 31.7100 -19.1100 7 C1y C 36.1200 -17.5700 8 N1b N 37.3100 -19.6000 9 C1c C 33.8100 -23.7300 10 O2x O 35.0000 -16.8700 11 C1b C 32.6200 -16.8700 12 C1y C 29.8900 -20.2300 13 O2b O 37.3100 -16.8700 14 C5a C 33.8100 -25.0600 15 C1a C 32.6200 -23.0300 16 O1a O 32.6200 -15.5400 17 C1y C 29.8900 -21.6300 18 O2x O 28.7000 -19.6000 19 N1b N 32.6200 -25.6900 20 O5a O 34.9300 -25.7600 21 C1y C 28.6300 -22.2600 22 N1b N 31.0100 -22.2600 23 C1y C 27.5100 -20.2300 24 C1c C 31.5000 -26.3900 25 C1y C 27.5100 -21.5600 26 O1a O 28.6300 -23.5900 27 C5a C 32.1300 -21.5600 28 C1b C 26.3200 -19.6000 29 C5a C 30.3100 -25.6900 30 C1a C 31.5000 -27.7200 31 O1a O 26.3200 -22.2600 32 C1a C 33.3200 -22.2600 33 O5a O 32.1300 -20.2300 34 O1a O 26.3200 -18.2000 35 N1b N 29.1200 -26.3200 36 O5a O 30.3100 -24.3600 37 C1c C 27.9300 -25.6200 38 C1b C 26.7400 -26.3200 39 C6a C 27.2300 -24.6400 40 C1b C 25.6200 -25.6200 41 O6a O 25.6900 -24.9200 42 O6a O 27.2300 -23.2400 43 C5a C 24.4300 -26.3200 44 N1b N 23.2400 -25.6200 45 O5a O 24.4300 -27.7200 46 C1c C 22.0500 -26.3200 47 C5a C 20.8600 -25.6200 48 C1b C 22.0500 -27.7200 49 N1b N 19.7400 -26.3200 50 O5a O 20.8600 -24.2900 51 C1b C 20.8600 -28.3500 52 C1c C 18.4800 -26.9500 53 C1b C 20.8600 -29.7500 54 C5a C 17.3600 -26.2500 55 C1a C 18.4800 -28.3500 56 C1b C 19.6700 -30.3800 57 N1b N 16.1700 -26.9500 58 O5a O 17.3600 -24.9200 59 N1b N 19.6700 -31.7100 60 C1c C 14.9800 -27.5800 61 C6a C 13.7900 -26.9500 62 C1a C 14.9800 -28.9800 63 O6a O 12.6000 -27.5800 64 O6a O 13.7900 -25.5500 65 C1b C 48.4400 -13.7200 66 C1b C 47.3900 -14.4200 67 C2c C 46.1300 -13.7200 68 C1a C 46.1300 -12.3200 69 C1b C 44.9400 -15.8200 70 C2b C 44.9400 -14.4200 71 O2b O 43.1900 -16.8700 72 C1a C 62.1600 -14.4200 73 C2c C 60.9000 -13.7200 74 C2b C 59.6400 -14.4200 75 C1a C 60.9000 -12.3200 76 C1b C 58.3800 -13.7200 77 C1b C 57.1900 -14.4200 78 C2c C 55.9300 -13.7200 79 C2b C 54.6700 -14.4200 80 C1a C 55.9300 -12.3200 81 C1b C 53.4100 -13.7200 82 C1b C 52.2200 -14.4200 83 C2c C 50.9600 -13.7200 84 C2b C 49.7000 -14.4200 85 C1a C 50.9600 -12.3200 86 P1b P 41.7200 -16.8700 87 O2c O 40.2500 -16.8700 88 O1c O 41.7200 -15.4000 89 O1c O 41.7200 -18.3400 90 P1b P 38.7800 -16.8700 91 O1c O 38.7800 -15.4000 92 O1c O 38.7800 -18.3400 93 C5a C 38.2900 -20.5800 94 C1a C 39.9000 -20.0200 95 O5a O 38.2900 -21.9800 96 N1a N 16.0300 -32.4100 97 C1c C 17.2900 -31.7100 98 C5a C 18.4800 -32.4100 99 C1a C 17.2900 -30.3100 100 O5a O 18.4800 -33.8100 101 C1b C 47.3900 -14.4200 102 C2c C 46.1300 -13.7200 103 C1a C 46.1300 -12.3200 104 C1b C 44.9400 -15.8200 105 C2b C 44.9400 -14.4200 106 C1b C 47.3900 -14.4200 107 C2c C 46.1300 -13.7200 108 C1a C 46.1300 -12.3200 109 C1b C 44.9400 -15.8200 110 C2b C 44.9400 -14.4200 111 C1b C 47.3900 -14.4200 112 C2c C 46.1300 -13.7200 113 C1a C 46.1300 -12.3200 114 C1b C 44.9400 -15.8200 115 C2b C 44.9400 -14.4200 116 C1b C 47.3900 -14.4200 117 C2c C 46.1300 -13.7200 118 C1a C 46.1300 -12.3200 119 C1b C 44.9400 -15.8200 120 C2b C 44.9400 -14.4200 121 C1b C 47.3900 -14.4200 122 C2c C 46.1300 -13.7200 123 C1a C 46.1300 -12.3200 124 C1b C 44.9400 -15.8200 125 C2b C 44.9400 -14.4200 126 C1b C 47.3900 -14.4200 127 C2c C 46.1300 -13.7200 128 C1a C 46.1300 -12.3200 129 C1b C 44.9400 -15.8200 130 C2b C 44.9400 -14.4200 131 C1b C 47.3900 -14.4200 132 C2c C 46.1300 -13.7200 133 C1a C 46.1300 -12.3200 134 C1b C 44.9400 -15.8200 135 C2b C 44.9400 -14.4200 BOND 136 1 1 2 1 2 1 3 1 3 1 4 1 #Up 4 2 5 1 5 2 6 1 #Down 6 3 7 1 7 3 8 1 #Down 8 4 9 1 9 5 10 1 10 5 11 1 #Up 11 12 6 1 #Up 12 7 13 1 #Down 13 9 14 1 14 9 15 1 #Up 15 11 16 1 16 12 17 1 17 12 18 1 18 14 19 1 19 14 20 2 20 17 21 1 21 17 22 1 #Down 22 18 23 1 23 24 19 1 #Up 24 21 25 1 25 21 26 1 #Up 26 22 27 1 27 23 28 1 #Up 28 24 29 1 29 24 30 1 30 25 31 1 #Down 31 27 32 1 32 27 33 2 33 28 34 1 34 29 35 1 35 29 36 2 36 37 35 1 #Down 37 37 38 1 38 37 39 1 39 38 40 1 40 39 41 1 41 39 42 2 42 40 43 1 43 43 44 1 44 43 45 2 45 46 44 1 #Up 46 46 47 1 47 46 48 1 48 47 49 1 49 47 50 2 50 48 51 1 51 52 49 1 #Down 52 51 53 1 53 52 54 1 54 52 55 1 55 53 56 1 56 54 57 1 57 54 58 2 58 56 59 1 59 60 57 1 #Down 60 60 61 1 61 60 62 1 62 61 63 1 63 61 64 2 64 7 10 1 65 23 25 1 66 76 77 1 67 77 78 1 68 78 79 2 69 78 80 1 70 79 81 1 71 74 76 1 72 72 73 1 73 73 74 2 74 81 82 1 75 82 83 1 76 83 84 2 77 83 85 1 78 84 65 1 79 73 75 1 80 71 86 1 81 86 87 1 82 86 88 1 83 86 89 2 84 87 90 1 85 90 13 1 86 90 91 1 87 90 92 2 88 8 93 1 89 93 94 1 90 93 95 2 91 97 96 1 #Up 92 97 98 1 93 98 59 1 94 97 99 1 95 98 100 2 96 65 66 1 97 67 68 1 98 67 66 1 99 69 70 1 100 70 67 2 101 69 101 1 102 102 103 1 103 102 101 1 104 104 105 1 105 105 102 2 106 104 106 1 107 107 108 1 108 107 106 1 109 109 110 1 110 110 107 2 111 109 111 1 112 112 113 1 113 112 111 1 114 114 115 1 115 115 112 2 116 114 116 1 117 117 118 1 118 117 116 1 119 119 120 1 120 120 117 2 121 119 121 1 122 122 123 1 123 122 121 1 124 124 125 1 125 125 122 2 126 124 126 1 127 127 128 1 128 127 126 1 129 129 130 1 130 130 127 2 131 129 131 1 132 132 133 1 133 132 131 1 134 134 135 1 135 135 132 2 136 134 71 1 BRACKET 1 44.6600 -16.8700 44.6600 -11.6900 1 47.6700 -11.6900 47.6700 -16.8700 1 8 ORIGINAL 1 66 67 68 69 70 REPEAT 1 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 1 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 1 133 134 135 ///