REMARK Name = BDB065119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.263 0.005 -0.783 0.00 0.00 -0.020 C ATOM 2 C LIG 1 -1.210 0.465 -1.246 0.00 0.00 +0.040 C ATOM 3 C LIG 1 -1.651 -0.037 -2.661 0.00 0.00 +0.119 C ATOM 4 C LIG 1 -2.996 0.546 -3.121 0.00 0.00 +0.034 C ATOM 5 C LIG 1 -3.543 1.593 -2.160 0.00 0.00 +0.040 C ATOM 6 C LIG 1 -3.667 1.004 -0.778 0.00 0.00 +0.105 C ATOM 7 O LIG 1 -4.913 0.285 -0.645 0.00 0.00 -0.367 OA ATOM 8 C LIG 1 -4.806 1.478 0.124 0.00 0.00 +0.196 C ATOM 9 C LIG 1 -2.397 0.256 -0.194 0.00 0.00 +0.078 C ATOM 10 C LIG 1 -1.990 0.954 1.160 0.00 0.00 +0.189 C ATOM 11 C LIG 1 -0.501 1.293 1.298 0.00 0.00 +0.049 C ATOM 12 C LIG 1 0.448 0.210 0.772 0.00 0.00 -0.004 C ATOM 13 C LIG 1 0.444 -1.035 1.666 0.00 0.00 +0.008 C ATOM 14 C LIG 1 0.573 -1.440 -1.229 0.00 0.00 +0.012 C ENDROOT BRANCH 3 15 ATOM 15 O LIG 1 -0.677 0.293 -3.649 0.00 0.00 -0.391 OA ATOM 16 H LIG 1 -0.959 -0.118 -4.486 0.00 0.00 +0.210 HD ENDBRANCH 3 15 BRANCH 1 17 ATOM 17 C LIG 1 1.302 0.996 -1.488 0.00 0.00 +0.056 C BRANCH 17 18 ATOM 18 C LIG 1 2.756 0.507 -1.696 0.00 0.00 +0.207 C BRANCH 18 19 ATOM 19 C LIG 1 3.575 1.577 -2.362 0.00 0.00 +0.014 C ATOM 20 C LIG 1 3.411 1.869 -3.803 0.00 0.00 +0.267 C ATOM 21 O LIG 1 4.361 2.902 -4.066 0.00 0.00 -0.457 OA ATOM 22 C LIG 1 5.029 3.197 -2.919 0.00 0.00 +0.332 C ATOM 23 O LIG 1 5.901 4.037 -2.795 0.00 0.00 -0.246 OA ATOM 24 C LIG 1 4.530 2.348 -1.841 0.00 0.00 +0.097 C ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 O LIG 1 3.336 0.195 -0.419 0.00 0.00 -0.454 OA BRANCH 25 26 ATOM 26 C LIG 1 4.225 -0.830 -0.396 0.00 0.00 +0.335 C ATOM 27 O LIG 1 4.562 -1.496 -1.363 0.00 0.00 -0.245 OA BRANCH 26 30 ATOM 28 C LIG 1 4.917 -0.332 3.428 0.00 0.00 +0.036 C ATOM 29 C LIG 1 4.468 -0.235 2.004 0.00 0.00 -0.020 C ATOM 30 C LIG 1 4.745 -1.080 0.989 0.00 0.00 +0.029 C ATOM 31 C LIG 1 5.573 -2.329 1.091 0.00 0.00 +0.051 C ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 18 25 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -2.748 -1.265 -0.064 0.00 0.00 +0.246 C BRANCH 32 33 ATOM 33 O LIG 1 -3.746 -1.533 0.937 0.00 0.00 -0.464 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.179 -2.822 0.968 0.00 0.00 +0.304 C ATOM 35 O LIG 1 -3.750 -3.733 0.273 0.00 0.00 -0.251 OA ATOM 36 C LIG 1 -5.247 -2.979 2.006 0.00 0.00 +0.136 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 9 32 BRANCH 10 37 ATOM 37 O LIG 1 -2.367 0.162 2.304 0.00 0.00 -0.461 OA BRANCH 37 38 ATOM 38 C LIG 1 -2.784 0.826 3.415 0.00 0.00 +0.304 C ATOM 39 O LIG 1 -2.873 2.039 3.529 0.00 0.00 -0.251 OA ATOM 40 C LIG 1 -3.145 -0.154 4.489 0.00 0.00 +0.136 C ENDBRANCH 37 38 ENDBRANCH 10 37 TORSDOF 12