REMARK Name = BDB065110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.142 -0.724 -0.077 0.00 0.00 -0.019 C ATOM 2 C LIG 1 -1.039 0.071 0.653 0.00 0.00 +0.052 C ATOM 3 C LIG 1 -0.631 1.431 1.325 0.00 0.00 +0.181 C ATOM 4 C LIG 1 -1.594 2.612 1.150 0.00 0.00 +0.048 C ATOM 5 C LIG 1 -3.073 2.261 1.245 0.00 0.00 +0.042 C ATOM 6 C LIG 1 -3.360 0.815 0.941 0.00 0.00 +0.105 C ATOM 7 O LIG 1 -4.755 0.498 0.845 0.00 0.00 -0.367 OA ATOM 8 C LIG 1 -4.096 0.046 2.035 0.00 0.00 +0.196 C ATOM 9 C LIG 1 -2.433 0.110 -0.096 0.00 0.00 +0.079 C ATOM 10 C LIG 1 -2.909 -1.372 -0.420 0.00 0.00 +0.189 C ATOM 11 C LIG 1 -1.837 -2.432 -0.128 0.00 0.00 +0.049 C ATOM 12 C LIG 1 -0.439 -2.089 -0.671 0.00 0.00 -0.004 C ATOM 13 C LIG 1 -0.383 -2.253 -2.198 0.00 0.00 +0.008 C ATOM 14 C LIG 1 0.822 0.119 -1.175 0.00 0.00 +0.012 C ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 1.224 -1.144 1.028 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 2.447 -0.224 1.291 0.00 0.00 +0.207 C BRANCH 16 17 ATOM 17 C LIG 1 3.109 -0.461 2.620 0.00 0.00 +0.014 C ATOM 18 C LIG 1 4.106 0.509 3.137 0.00 0.00 +0.267 C ATOM 19 O LIG 1 4.463 -0.001 4.423 0.00 0.00 -0.457 OA ATOM 20 C LIG 1 3.787 -1.155 4.650 0.00 0.00 +0.332 C ATOM 21 O LIG 1 3.858 -1.845 5.650 0.00 0.00 -0.246 OA ATOM 22 C LIG 1 2.927 -1.442 3.505 0.00 0.00 +0.097 C ENDBRANCH 16 17 BRANCH 16 23 ATOM 23 O LIG 1 3.424 -0.520 0.270 0.00 0.00 -0.454 OA BRANCH 23 24 ATOM 24 C LIG 1 4.122 0.523 -0.243 0.00 0.00 +0.335 C ATOM 25 O LIG 1 4.012 1.686 0.114 0.00 0.00 -0.245 OA BRANCH 24 28 ATOM 26 C LIG 1 6.846 0.797 -2.977 0.00 0.00 +0.036 C ATOM 27 C LIG 1 5.830 0.981 -1.895 0.00 0.00 -0.020 C ATOM 28 C LIG 1 5.058 0.043 -1.309 0.00 0.00 +0.029 C ATOM 29 C LIG 1 5.054 -1.422 -1.630 0.00 0.00 +0.051 C ENDBRANCH 24 28 ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 3 30 ATOM 30 O LIG 1 -0.536 1.157 2.753 0.00 0.00 -0.461 OA BRANCH 30 31 ATOM 31 C LIG 1 0.360 1.883 3.474 0.00 0.00 +0.304 C ATOM 32 O LIG 1 1.123 2.720 3.016 0.00 0.00 -0.251 OA ATOM 33 C LIG 1 0.293 1.495 4.918 0.00 0.00 +0.136 C ENDBRANCH 30 31 ENDBRANCH 3 30 BRANCH 9 34 ATOM 34 C LIG 1 -2.410 0.941 -1.417 0.00 0.00 +0.246 C BRANCH 34 35 ATOM 35 O LIG 1 -3.749 1.246 -1.845 0.00 0.00 -0.464 OA BRANCH 35 36 ATOM 36 C LIG 1 -3.831 1.933 -3.015 0.00 0.00 +0.304 C ATOM 37 O LIG 1 -2.880 2.291 -3.694 0.00 0.00 -0.251 OA ATOM 38 C LIG 1 -5.266 2.192 -3.356 0.00 0.00 +0.136 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 9 34 BRANCH 10 39 ATOM 39 O LIG 1 -3.326 -1.505 -1.800 0.00 0.00 -0.461 OA BRANCH 39 40 ATOM 40 C LIG 1 -4.266 -2.448 -2.082 0.00 0.00 +0.304 C ATOM 41 O LIG 1 -4.749 -3.237 -1.284 0.00 0.00 -0.251 OA ATOM 42 C LIG 1 -4.614 -2.395 -3.538 0.00 0.00 +0.136 C ENDBRANCH 39 40 ENDBRANCH 10 39 TORSDOF 13