REMARK Name = BDB003468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 7.391 -1.036 1.398 0.00 0.00 +0.047 C ATOM 2 C LIG 1 6.127 -0.869 0.604 0.00 0.00 -0.005 A ATOM 3 C LIG 1 5.161 0.091 0.928 0.00 0.00 +0.131 A ATOM 4 C LIG 1 3.984 0.203 0.171 0.00 0.00 +0.074 A ATOM 5 C LIG 1 2.987 1.271 0.444 0.00 0.00 +0.179 C ATOM 6 C LIG 1 1.515 0.899 0.241 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.020 0.010 1.438 0.00 0.00 +0.107 C ATOM 8 C LIG 1 0.113 -1.109 0.958 0.00 0.00 +0.170 C ATOM 9 C LIG 1 -1.272 -0.682 0.508 0.00 0.00 +0.052 C ATOM 10 C LIG 1 -1.426 0.805 0.204 0.00 0.00 +0.083 C ATOM 11 C LIG 1 -0.907 1.220 -1.224 0.00 0.00 +0.107 C ATOM 12 C LIG 1 -0.099 2.499 -1.011 0.00 0.00 +0.131 C ATOM 13 C LIG 1 0.106 0.256 -1.809 0.00 0.00 +0.170 C ATOM 14 O LIG 1 -0.129 -0.425 -2.803 0.00 0.00 -0.292 OA ATOM 15 C LIG 1 -0.582 1.692 1.190 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -2.912 1.190 0.290 0.00 0.00 +0.179 C ATOM 17 O LIG 1 -3.308 2.312 0.602 0.00 0.00 -0.291 OA ATOM 18 C LIG 1 -3.932 0.195 -0.116 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -3.603 -1.167 -0.087 0.00 0.00 +0.072 A ATOM 20 C LIG 1 -4.595 -2.079 -0.495 0.00 0.00 +0.129 A ATOM 21 C LIG 1 -5.860 -1.659 -0.916 0.00 0.00 +0.053 A ATOM 22 C LIG 1 -6.180 -0.298 -0.932 0.00 0.00 -0.005 A ATOM 23 C LIG 1 -7.543 0.158 -1.368 0.00 0.00 +0.047 C ATOM 24 C LIG 1 -5.212 0.623 -0.518 0.00 0.00 +0.131 A ATOM 25 C LIG 1 -2.265 -1.579 0.393 0.00 0.00 +0.136 C ATOM 26 O LIG 1 0.545 -2.249 0.846 0.00 0.00 -0.292 OA ATOM 27 C LIG 1 0.128 0.907 2.284 0.00 0.00 +0.131 C ATOM 28 C LIG 1 0.588 2.168 0.306 0.00 0.00 +0.044 C ATOM 29 C LIG 1 1.432 0.180 -1.106 0.00 0.00 +0.052 C ATOM 30 C LIG 1 2.441 -0.534 -1.639 0.00 0.00 +0.136 C ATOM 31 O LIG 1 3.360 2.400 0.745 0.00 0.00 -0.291 OA ATOM 32 C LIG 1 3.723 -0.656 -0.910 0.00 0.00 +0.072 A ATOM 33 C LIG 1 4.713 -1.594 -1.237 0.00 0.00 +0.129 A ATOM 34 C LIG 1 5.894 -1.698 -0.500 0.00 0.00 +0.053 A ENDROOT BRANCH 3 35 ATOM 35 O LIG 1 5.324 0.889 2.026 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 6.269 1.076 2.146 0.00 0.00 +0.292 HD ENDBRANCH 3 35 BRANCH 12 37 ATOM 37 O LIG 1 -0.950 3.619 -0.862 0.00 0.00 -0.391 OA ATOM 38 H LIG 1 -1.270 3.894 -1.739 0.00 0.00 +0.210 HD ENDBRANCH 12 37 BRANCH 20 39 ATOM 39 O LIG 1 -4.318 -3.425 -0.475 0.00 0.00 -0.506 OA ATOM 40 H LIG 1 -5.077 -3.909 -0.852 0.00 0.00 +0.292 HD ENDBRANCH 20 39 BRANCH 24 41 ATOM 41 O LIG 1 -5.568 1.948 -0.530 0.00 0.00 -0.506 OA ATOM 42 H LIG 1 -4.871 2.464 -0.064 0.00 0.00 +0.292 HD ENDBRANCH 24 41 BRANCH 25 43 ATOM 43 O LIG 1 -2.089 -2.900 0.733 0.00 0.00 -0.506 OA ATOM 44 H LIG 1 -2.843 -3.418 0.383 0.00 0.00 +0.292 HD ENDBRANCH 25 43 BRANCH 27 45 ATOM 45 O LIG 1 0.894 1.780 3.093 0.00 0.00 -0.391 OA ATOM 46 H LIG 1 1.393 1.257 3.746 0.00 0.00 +0.210 HD ENDBRANCH 27 45 BRANCH 30 47 ATOM 47 O LIG 1 2.353 -1.234 -2.827 0.00 0.00 -0.506 OA ATOM 48 H LIG 1 1.428 -1.162 -3.160 0.00 0.00 +0.292 HD ENDBRANCH 30 47 BRANCH 33 49 ATOM 49 O LIG 1 4.590 -2.466 -2.286 0.00 0.00 -0.506 OA ATOM 50 H LIG 1 3.743 -2.257 -2.733 0.00 0.00 +0.292 HD ENDBRANCH 33 49 TORSDOF 8