REMARK Name = BDB065112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.240 -0.188 -0.765 0.00 0.00 -0.022 C ATOM 2 C LIG 1 -1.173 0.141 -1.426 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -1.468 -0.687 -2.716 0.00 0.00 +0.005 C ATOM 4 C LIG 1 -2.689 -0.167 -3.480 0.00 0.00 +0.003 C ATOM 5 C LIG 1 -3.921 -0.038 -2.594 0.00 0.00 +0.038 C ATOM 6 C LIG 1 -3.573 0.762 -1.365 0.00 0.00 +0.105 C ATOM 7 O LIG 1 -4.691 1.331 -0.676 0.00 0.00 -0.367 OA ATOM 8 C LIG 1 -3.888 2.249 -1.435 0.00 0.00 +0.196 C ATOM 9 C LIG 1 -2.440 0.167 -0.460 0.00 0.00 +0.076 C ATOM 10 C LIG 1 -2.157 1.060 0.814 0.00 0.00 +0.189 C ATOM 11 C LIG 1 -0.714 1.574 0.869 0.00 0.00 +0.049 C ATOM 12 C LIG 1 0.348 0.481 0.661 0.00 0.00 -0.004 C ATOM 13 C LIG 1 0.422 -0.479 1.856 0.00 0.00 +0.008 C ATOM 14 C LIG 1 0.500 -1.710 -0.742 0.00 0.00 +0.012 C ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 1.341 0.491 -1.695 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 2.807 0.005 -1.564 0.00 0.00 +0.207 C BRANCH 16 17 ATOM 17 C LIG 1 3.703 0.746 -2.511 0.00 0.00 +0.014 C ATOM 18 C LIG 1 3.966 2.197 -2.396 0.00 0.00 +0.267 C ATOM 19 O LIG 1 4.872 2.476 -3.463 0.00 0.00 -0.457 OA ATOM 20 C LIG 1 5.136 1.326 -4.140 0.00 0.00 +0.332 C ATOM 21 O LIG 1 5.864 1.219 -5.108 0.00 0.00 -0.246 OA ATOM 22 C LIG 1 4.393 0.228 -3.526 0.00 0.00 +0.097 C ENDBRANCH 16 17 BRANCH 16 23 ATOM 23 O LIG 1 3.291 0.237 -0.235 0.00 0.00 -0.454 OA BRANCH 23 24 ATOM 24 C LIG 1 4.153 -0.690 0.257 0.00 0.00 +0.335 C ATOM 25 O LIG 1 4.532 -1.690 -0.333 0.00 0.00 -0.245 OA BRANCH 24 28 ATOM 26 C LIG 1 5.651 -1.188 3.784 0.00 0.00 +0.036 C ATOM 27 C LIG 1 5.157 -1.281 2.376 0.00 0.00 -0.020 C ATOM 28 C LIG 1 4.566 -0.314 1.644 0.00 0.00 +0.029 C ATOM 29 C LIG 1 4.324 1.096 2.089 0.00 0.00 +0.051 C ENDBRANCH 24 28 ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 9 30 ATOM 30 C LIG 1 -2.877 -1.270 -0.019 0.00 0.00 +0.245 C BRANCH 30 31 ATOM 31 O LIG 1 -4.155 -1.234 0.643 0.00 0.00 -0.464 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.614 -2.441 1.064 0.00 0.00 +0.304 C ATOM 33 O LIG 1 -4.029 -3.507 0.934 0.00 0.00 -0.251 OA ATOM 34 C LIG 1 -5.953 -2.281 1.714 0.00 0.00 +0.136 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 9 30 BRANCH 10 35 ATOM 35 O LIG 1 -2.434 0.342 2.040 0.00 0.00 -0.461 OA BRANCH 35 36 ATOM 36 C LIG 1 -2.798 1.078 3.126 0.00 0.00 +0.304 C ATOM 37 O LIG 1 -2.855 2.298 3.178 0.00 0.00 -0.251 OA ATOM 38 C LIG 1 -3.097 0.167 4.276 0.00 0.00 +0.136 C ENDBRANCH 35 36 ENDBRANCH 10 35 TORSDOF 11