REMARK Name = BDB032111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.373 0.504 -0.239 0.00 0.00 +0.036 A ATOM 2 C LIG 1 0.109 -0.729 0.396 0.00 0.00 -0.027 A ATOM 3 C LIG 1 1.205 -1.640 0.882 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.227 -1.141 0.591 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.297 -0.355 0.169 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -2.026 0.861 -0.458 0.00 0.00 +0.025 A ATOM 7 C LIG 1 -0.707 1.285 -0.658 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 2.196 2.044 -1.039 0.00 0.00 +0.220 C ATOM 9 N LIG 1 1.719 0.901 -0.422 0.00 0.00 -0.285 N ATOM 10 H LIG 1 2.413 0.259 -0.074 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 1.520 2.926 -1.560 0.00 0.00 -0.275 OA BRANCH 8 14 ATOM 12 C LIG 1 5.862 0.802 -1.508 0.00 0.00 +0.074 C ATOM 13 C LIG 1 4.386 1.046 -1.867 0.00 0.00 +0.035 C ATOM 14 C LIG 1 3.722 2.161 -1.039 0.00 0.00 +0.077 C ATOM 15 C LIG 1 4.286 2.240 0.380 0.00 0.00 +0.013 C ATOM 16 C LIG 1 5.791 2.520 0.380 0.00 0.00 +0.003 C ATOM 17 C LIG 1 6.507 2.046 -0.888 0.00 0.00 +0.022 C BRANCH 12 19 ATOM 18 C LIG 1 7.162 -1.094 -0.604 0.00 0.00 +0.237 C ATOM 19 N LIG 1 6.004 -0.351 -0.621 0.00 0.00 -0.309 N ATOM 20 H LIG 1 5.364 -0.449 0.153 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 8.099 -0.936 -1.374 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 8.250 -2.888 0.666 0.00 0.00 +0.013 C ATOM 23 C LIG 1 7.171 -2.119 0.472 0.00 0.00 +0.059 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 14 ENDBRANCH 1 9 BRANCH 5 24 ATOM 24 N LIG 1 -3.647 -0.710 0.333 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -4.347 -0.063 -0.016 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -4.171 -1.847 0.917 0.00 0.00 +0.267 C ATOM 27 O LIG 1 -3.550 -2.778 1.414 0.00 0.00 -0.268 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.674 -1.873 0.904 0.00 0.00 +0.126 A ATOM 29 N LIG 1 -6.293 -0.795 0.336 0.00 0.00 -0.241 NA ATOM 30 C LIG 1 -7.648 -0.818 0.325 0.00 0.00 +0.089 A ATOM 31 C LIG 1 -8.398 -1.864 0.853 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -7.735 -2.948 1.425 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -6.347 -2.957 1.454 0.00 0.00 +0.033 A BRANCH 30 34 ATOM 34 C LIG 1 -8.267 0.347 -0.288 0.00 0.00 +0.084 A ATOM 35 N LIG 1 -7.528 1.378 -0.810 0.00 0.00 -0.275 N ATOM 36 H LIG 1 -6.517 1.449 -0.830 0.00 0.00 +0.189 HD ATOM 37 N LIG 1 -8.260 2.374 -1.336 0.00 0.00 -0.182 NA ATOM 38 C LIG 1 -9.516 1.969 -1.147 0.00 0.00 +0.135 A ATOM 39 C LIG 1 -9.581 0.719 -0.502 0.00 0.00 +0.050 A ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 5 24 TORSDOF 7