ENTRY C21994 Compound ATOM 167 1 C1y C 13.8808 -13.5243 2 C1y C 12.6897 -12.8237 3 C1y C 15.1420 -12.8237 4 O7a O 13.8808 -14.9257 5 C1y C 12.6897 -11.4224 6 O2b O 11.4986 -13.5243 7 C1y C 15.1420 -11.4224 8 N1b N 16.3331 -13.5243 9 C7a C 12.6897 -15.6263 10 O2x O 13.8808 -10.7217 11 C1b C 11.4285 -10.7217 12 P1b P 10.0972 -13.5243 13 O2a O 16.3331 -10.7217 14 C5a C 16.3331 -14.9257 15 C1b C 12.6897 -17.0277 16 O6a O 11.4986 -14.9257 17 O2a O 11.4285 -9.3204 18 O1c O 10.0972 -12.1231 19 O1c O 8.6959 -13.5243 20 O1c O 10.0972 -14.9257 21 C1b C 17.5242 -10.0912 22 O5a O 15.1420 -15.6263 23 C1c C 11.4986 -17.7283 24 C1z C 11.4986 -7.9190 25 C1y C 18.7854 -10.7217 26 C1b C 11.4986 -19.1296 27 O7a O 10.3075 -17.0277 28 C1x C 10.2373 -8.6198 29 O2x O 11.4986 -6.5178 30 C6a C 12.7597 -8.4796 31 C1y C 18.7854 -12.1231 32 O2x O 19.9765 -10.0912 33 C1b C 10.3075 -19.8303 34 C1y C 9.0462 -7.9190 35 C1y C 10.2373 -5.8171 36 O6a O 12.8298 -9.6708 37 O6a O 13.8808 -7.7090 38 C1y C 19.9765 -12.8237 39 O1a O 17.5242 -12.4734 40 C1y C 21.1676 -10.7217 41 C1b C 10.3075 -21.2316 42 O2a O 7.9252 -8.6899 43 C1y C 9.0462 -6.5178 44 C1c C 10.1673 -4.4158 45 C1y C 21.1676 -12.1231 46 O7a O 19.9765 -14.2251 47 O1a O 22.4288 -10.0912 48 C1b C 9.0462 -21.9322 49 C1z C 6.8042 -9.3905 50 O1a O 7.7851 -5.8873 51 C1b C 11.2884 -3.6451 52 O1a O 8.9061 -3.7853 53 N1b N 23.1996 -12.8237 54 C7a C 21.1676 -14.9257 55 C1b C 9.0462 -23.3336 56 O2x O 5.5430 -8.7599 57 C1x C 6.8042 -10.7918 58 C6a C 7.9952 -10.0912 59 O1a O 11.2884 -2.3138 60 C5a C 24.4608 -12.1231 61 O6a O 22.4288 -14.2251 62 C1b C 7.8550 -24.0342 63 C1y C 4.3518 -9.4606 64 C1y C 5.6130 -11.4925 65 O6a O 9.1864 -9.3905 66 O6a O 7.9952 -11.4925 67 O5a O 24.5307 -10.7217 68 C1b C 7.8550 -25.4355 69 C1y C 4.3518 -10.8618 70 C1c C 3.1608 -8.8300 71 O1a O 5.6130 -12.8938 72 C1b C 6.6640 -26.1362 73 O1a O 3.2308 -11.5625 74 C1b C 3.1608 -7.4287 75 O1a O 1.9696 -9.5307 76 C1b C 6.6640 -27.5375 77 O1a O 1.8996 -6.7981 78 C1b C 5.4028 -28.2381 79 C1b C 5.4028 -29.6395 80 C1b C 25.6518 -12.8237 81 C1c C 25.6518 -14.2251 82 C1b C 26.9130 -14.9257 83 C1b C 26.9130 -16.3270 84 C1b C 28.1042 -17.0277 85 C1b C 28.1042 -18.4290 86 C1b C 29.2952 -19.1296 87 C1b C 29.2952 -20.5310 88 C1b C 30.5564 -21.2316 89 C1b C 30.5564 -22.6329 90 C1b C 31.7476 -23.3336 91 C1b C 31.7476 -24.7349 92 C1b C 32.9386 -25.4355 93 C1b C 32.9386 -26.8369 94 C1b C 34.1999 -27.5375 95 C1b C 34.1999 -28.9389 96 C1a C 35.3910 -29.6395 97 O1a O 24.4608 -14.9257 98 C1b C 21.1676 -16.3270 99 C1c C 22.3588 -17.0277 100 C1b C 22.3588 -18.4290 101 C1b C 23.6199 -19.1296 102 C1b C 23.6199 -20.5310 103 C1b C 24.8110 -21.2316 104 C1b C 24.8110 -22.6329 105 C1b C 26.0022 -23.3336 106 C1b C 26.0022 -24.7349 107 C1b C 27.2633 -25.4355 108 C1b C 27.2633 -26.8369 109 C1b C 28.4544 -27.5375 110 C1b C 28.4544 -28.9389 111 C1b C 29.6456 -29.6395 112 C1a C 29.6456 -31.0408 113 O1a O 23.6199 -16.3270 114 C1b C 17.5242 -15.6263 115 C1b C 4.2116 -30.3401 116 C1a C 4.2116 -31.7415 117 C7a C 9.1163 -17.7283 118 C1b C 9.1163 -19.1296 119 C1b C 7.8550 -19.8303 120 C1b C 7.8550 -21.2316 121 C1b C 6.6640 -21.9322 122 C1b C 6.6640 -23.3336 123 C1b C 5.4729 -24.0342 124 C1b C 5.4729 -25.4355 125 C1b C 4.2818 -26.1362 126 C1b C 4.2818 -27.5375 127 C1b C 3.0206 -28.2381 128 C1b C 3.0206 -29.6395 129 C1b C 1.8294 -30.3401 130 C1a C 1.8294 -31.7415 131 C1c C 17.5242 -17.0277 132 C1b C 16.3331 -17.7283 133 C1b C 16.3331 -19.1296 134 C1b C 15.1420 -19.8303 135 C1b C 15.1420 -21.2316 136 C1b C 13.8808 -21.9322 137 C1b C 13.8808 -23.3336 138 C1b C 12.6897 -24.0342 139 C1b C 12.6897 -25.4355 140 C1b C 11.4986 -26.1362 141 C1b C 11.4986 -27.5375 142 C1b C 10.2373 -28.2381 143 C1b C 10.2373 -29.6395 144 C1b C 9.0462 -30.3401 145 C1b C 9.0462 -31.7415 146 C1a C 7.8550 -32.4421 147 O7a O 18.7154 -17.7283 148 C7a C 18.7154 -19.1296 149 C1b C 17.5242 -19.8303 150 C1b C 17.5242 -21.2316 151 C1b C 16.3331 -21.9322 152 C1b C 16.3331 -23.3336 153 C1b C 15.0720 -24.0342 154 C1b C 15.0720 -25.4355 155 C1b C 13.8808 -26.1362 156 C1b C 13.8808 -27.5375 157 C1b C 12.6897 -28.2381 158 C1b C 12.6897 -29.6395 159 C1b C 11.4285 -30.3401 160 C1b C 11.4285 -31.7415 161 C1b C 10.2373 -32.4421 162 C1b C 10.2373 -33.8434 163 C1b C 9.0462 -34.5441 164 C1b C 9.0462 -35.9454 165 C1a C 7.7851 -36.6460 166 O6a O 19.9064 -19.8303 167 O6a O 7.8793 -17.0211 BOND 170 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 6 12 1 12 7 13 1 #Up 13 8 14 1 14 9 15 1 15 9 16 2 16 11 17 1 17 12 18 1 18 12 19 1 19 12 20 2 20 13 21 1 21 14 22 2 22 15 23 1 23 17 24 1 24 25 21 1 #Up 25 23 26 1 26 23 27 1 #Up 27 24 28 1 28 24 29 1 29 24 30 1 #Up 30 25 31 1 31 25 32 1 32 26 33 1 33 28 34 1 34 29 35 1 35 30 36 1 36 30 37 2 37 31 38 1 38 31 39 1 #Down 39 32 40 1 40 33 41 1 41 34 42 1 #Up 42 34 43 1 43 35 44 1 #Up 44 38 45 1 45 38 46 1 #Up 46 40 47 1 #Down 47 41 48 1 48 49 42 1 #Down 49 43 50 1 #Up 50 44 51 1 51 44 52 1 #Down 52 45 53 1 #Down 53 46 54 1 54 48 55 1 55 49 56 1 56 49 57 1 57 49 58 1 #Up 58 51 59 1 59 53 60 1 60 54 61 2 61 55 62 1 62 56 63 1 63 57 64 1 64 58 65 1 65 58 66 2 66 60 67 2 67 62 68 1 68 63 69 1 69 63 70 1 #Up 70 64 71 1 #Up 71 68 72 1 72 69 73 1 #Up 73 70 74 1 74 70 75 1 #Down 75 72 76 1 76 74 77 1 77 76 78 1 78 78 79 1 79 7 10 1 80 35 43 1 81 40 45 1 82 64 69 1 83 60 80 1 84 80 81 1 85 81 82 1 86 82 83 1 87 83 84 1 88 84 85 1 89 85 86 1 90 86 87 1 91 87 88 1 92 88 89 1 93 89 90 1 94 90 91 1 95 91 92 1 96 92 93 1 97 93 94 1 98 94 95 1 99 95 96 1 100 81 97 1 #Up 101 54 98 1 102 98 99 1 103 99 100 1 104 100 101 1 105 101 102 1 106 102 103 1 107 103 104 1 108 104 105 1 109 105 106 1 110 106 107 1 111 107 108 1 112 108 109 1 113 109 110 1 114 110 111 1 115 111 112 1 116 99 113 1 #Down 117 14 114 1 118 79 115 1 119 115 116 1 120 27 117 1 121 117 118 1 122 118 119 1 123 119 120 1 124 120 121 1 125 121 122 1 126 122 123 1 127 123 124 1 128 124 125 1 129 125 126 1 130 126 127 1 131 127 128 1 132 128 129 1 133 129 130 1 134 114 131 1 135 131 132 1 136 132 133 1 137 133 134 1 138 134 135 1 139 135 136 1 140 136 137 1 141 137 138 1 142 138 139 1 143 139 140 1 144 140 141 1 145 141 142 1 146 142 143 1 147 143 144 1 148 144 145 1 149 145 146 1 150 131 147 1 #Down 151 147 148 1 152 148 149 1 153 149 150 1 154 150 151 1 155 151 152 1 156 152 153 1 157 153 154 1 158 154 155 1 159 155 156 1 160 156 157 1 161 157 158 1 162 158 159 1 163 159 160 1 164 160 161 1 165 161 162 1 166 162 163 1 167 163 164 1 168 164 165 1 169 148 166 2 170 117 167 2 ///