REMARK Name = BDB062277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.163 -3.032 -0.170 0.00 0.00 +0.070 A ATOM 2 C LIG 1 -1.394 -2.871 -0.843 0.00 0.00 +0.154 A ATOM 3 C LIG 1 -1.845 -3.819 -1.769 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -3.141 -3.570 -2.442 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -3.844 -2.324 -2.088 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -3.314 -1.499 -1.177 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -3.656 -4.320 -3.260 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -1.058 -4.949 -2.027 0.00 0.00 +0.135 A ATOM 9 C LIG 1 0.164 -5.128 -1.375 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.110 -1.733 -0.545 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 0.602 -4.173 -0.458 0.00 0.00 +0.132 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 1.661 -0.053 1.315 0.00 0.00 +0.022 A ATOM 13 C LIG 1 1.242 -1.058 0.428 0.00 0.00 +0.024 A ATOM 14 C LIG 1 0.293 -2.026 0.807 0.00 0.00 +0.031 A ATOM 15 C LIG 1 -0.221 -1.975 2.112 0.00 0.00 +0.125 A ATOM 16 C LIG 1 0.192 -0.993 3.011 0.00 0.00 +0.047 A ATOM 17 C LIG 1 1.131 -0.039 2.612 0.00 0.00 +0.015 A BRANCH 12 26 ATOM 18 O LIG 1 3.413 4.382 0.739 0.00 0.00 -0.283 OA ATOM 19 C LIG 1 3.581 3.179 0.568 0.00 0.00 +0.238 A ATOM 20 C LIG 1 4.755 2.561 -0.082 0.00 0.00 +0.109 A ATOM 21 C LIG 1 4.771 1.169 -0.199 0.00 0.00 +0.147 A ATOM 22 C LIG 1 5.848 0.515 -0.804 0.00 0.00 +0.092 A ATOM 23 C LIG 1 6.911 1.265 -1.291 0.00 0.00 +0.124 A ATOM 24 C LIG 1 6.914 2.651 -1.184 0.00 0.00 +0.091 A ATOM 25 O LIG 1 3.761 0.359 0.255 0.00 0.00 -0.451 OA ATOM 26 C LIG 1 2.667 0.937 0.879 0.00 0.00 +0.181 A ATOM 27 C LIG 1 5.836 3.300 -0.578 0.00 0.00 +0.135 A ATOM 28 C LIG 1 2.518 2.261 1.051 0.00 0.00 +0.208 A BRANCH 23 29 ATOM 29 O LIG 1 7.985 0.674 -1.888 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 7.856 -0.289 -1.896 0.00 0.00 +0.292 HD ENDBRANCH 23 29 BRANCH 27 31 ATOM 31 O LIG 1 5.858 4.662 -0.480 0.00 0.00 -0.506 OA ATOM 32 H LIG 1 6.667 5.015 -0.883 0.00 0.00 +0.292 HD ENDBRANCH 27 31 BRANCH 28 33 ATOM 33 O LIG 1 1.414 2.849 1.645 0.00 0.00 -0.501 OA ATOM 34 H LIG 1 1.594 3.814 1.594 0.00 0.00 +0.292 HD ENDBRANCH 28 33 ENDBRANCH 12 26 BRANCH 15 35 ATOM 35 O LIG 1 -1.148 -2.905 2.502 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 -1.440 -2.693 3.403 0.00 0.00 +0.292 HD ENDBRANCH 15 35 ENDBRANCH 1 14 BRANCH 6 37 ATOM 37 C LIG 1 -3.965 -0.232 -0.774 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -3.181 0.873 -0.404 0.00 0.00 +0.015 A ATOM 39 C LIG 1 -3.766 2.080 -0.001 0.00 0.00 +0.049 A ATOM 40 C LIG 1 -5.152 2.202 0.045 0.00 0.00 +0.159 A ATOM 41 C LIG 1 -5.944 1.108 -0.311 0.00 0.00 +0.049 A ATOM 42 C LIG 1 -5.359 -0.098 -0.711 0.00 0.00 +0.015 A BRANCH 40 43 ATOM 43 O LIG 1 -5.846 3.322 0.421 0.00 0.00 -0.325 OA BRANCH 43 44 ATOM 44 S LIG 1 -5.114 4.694 0.895 0.00 0.00 +0.251 S ATOM 45 O LIG 1 -4.415 5.284 -0.224 0.00 0.00 -0.108 OA ATOM 46 O LIG 1 -4.467 4.462 2.169 0.00 0.00 -0.108 OA BRANCH 44 47 ATOM 47 O LIG 1 -6.366 5.650 1.241 0.00 0.00 -0.222 OA ATOM 48 H LIG 1 -6.617 5.478 2.171 0.00 0.00 +0.248 HD ENDBRANCH 44 47 ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 6 37 BRANCH 8 49 ATOM 49 O LIG 1 -1.464 -5.894 -2.926 0.00 0.00 -0.506 OA ATOM 50 H LIG 1 -0.830 -6.625 -2.974 0.00 0.00 +0.292 HD ENDBRANCH 8 49 BRANCH 11 51 ATOM 51 O LIG 1 1.808 -4.346 0.169 0.00 0.00 -0.506 OA ATOM 52 H LIG 1 2.131 -5.247 0.011 0.00 0.00 +0.292 HD ENDBRANCH 11 51 TORSDOF 12