REMARK Name = BDB065116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.889 -0.103 -0.438 0.00 0.00 +0.078 C ATOM 2 C LIG 1 -2.785 0.297 -1.678 0.00 0.00 +0.105 C ATOM 3 O LIG 1 -4.200 0.172 -1.449 0.00 0.00 -0.367 OA ATOM 4 C LIG 1 -3.730 1.496 -1.699 0.00 0.00 +0.196 C ATOM 5 C LIG 1 -2.359 -0.186 -3.046 0.00 0.00 +0.040 C ATOM 6 C LIG 1 -1.664 -1.530 -2.987 0.00 0.00 +0.034 C ATOM 7 C LIG 1 -0.433 -1.491 -2.074 0.00 0.00 +0.119 C ATOM 8 C LIG 1 -0.421 -0.319 -1.028 0.00 0.00 +0.040 C ATOM 9 C LIG 1 0.848 -0.335 -0.003 0.00 0.00 -0.020 C ATOM 10 C LIG 1 1.114 -1.761 0.521 0.00 0.00 +0.012 C ATOM 11 C LIG 1 0.633 0.666 1.196 0.00 0.00 -0.004 C ATOM 12 C LIG 1 1.478 0.395 2.461 0.00 0.00 +0.008 C ATOM 13 C LIG 1 -0.808 0.758 1.696 0.00 0.00 +0.049 C ATOM 14 C LIG 1 -1.817 1.061 0.597 0.00 0.00 +0.189 C ENDROOT BRANCH 7 15 ATOM 15 O LIG 1 0.712 -1.422 -2.919 0.00 0.00 -0.391 OA ATOM 16 H LIG 1 0.616 -0.654 -3.509 0.00 0.00 +0.210 HD ENDBRANCH 7 15 BRANCH 1 17 ATOM 17 C LIG 1 -2.439 -1.423 0.206 0.00 0.00 +0.246 C BRANCH 17 18 ATOM 18 O LIG 1 -3.693 -1.232 0.878 0.00 0.00 -0.464 OA BRANCH 18 20 ATOM 19 C LIG 1 -5.563 -2.041 2.030 0.00 0.00 +0.136 C ATOM 20 C LIG 1 -4.246 -2.361 1.392 0.00 0.00 +0.304 C ATOM 21 O LIG 1 -3.747 -3.477 1.352 0.00 0.00 -0.251 OA ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 9 22 ATOM 22 C LIG 1 2.108 0.149 -0.858 0.00 0.00 +0.056 C BRANCH 22 23 ATOM 23 C LIG 1 3.468 0.512 -0.215 0.00 0.00 +0.207 C BRANCH 23 24 ATOM 24 C LIG 1 4.353 -0.622 0.203 0.00 0.00 +0.014 C ATOM 25 C LIG 1 5.410 -0.406 1.220 0.00 0.00 +0.267 C ATOM 26 O LIG 1 6.032 -1.683 1.365 0.00 0.00 -0.457 OA ATOM 27 C LIG 1 5.448 -2.563 0.511 0.00 0.00 +0.332 C ATOM 28 O LIG 1 5.749 -3.734 0.374 0.00 0.00 -0.246 OA ATOM 29 C LIG 1 4.384 -1.885 -0.225 0.00 0.00 +0.097 C ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 O LIG 1 4.203 1.225 -1.247 0.00 0.00 -0.457 OA BRANCH 30 31 ATOM 31 C LIG 1 4.883 2.338 -0.863 0.00 0.00 +0.305 C ATOM 32 O LIG 1 4.957 2.765 0.280 0.00 0.00 -0.251 OA ATOM 33 C LIG 1 5.551 2.965 -2.048 0.00 0.00 +0.136 C ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 22 23 ENDBRANCH 9 22 BRANCH 14 34 ATOM 34 O LIG 1 -3.085 1.268 1.259 0.00 0.00 -0.461 OA BRANCH 34 35 ATOM 35 C LIG 1 -3.335 2.509 1.756 0.00 0.00 +0.304 C ATOM 36 O LIG 1 -2.593 3.475 1.656 0.00 0.00 -0.251 OA ATOM 37 C LIG 1 -4.670 2.526 2.436 0.00 0.00 +0.136 C ENDBRANCH 34 35 ENDBRANCH 14 34 TORSDOF 11