REMARK Name = BDB046703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.081 1.276 -0.094 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.224 1.569 -0.593 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -3.569 1.480 -0.469 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -2.325 1.072 0.052 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -2.290 0.211 1.154 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -3.475 -0.249 1.734 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -4.704 0.137 1.209 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -4.755 1.016 0.127 0.00 0.00 +0.053 A BRANCH 3 9 ATOM 9 C LIG 1 -3.665 2.399 -1.668 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 -4.511 0.694 -3.368 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -3.421 1.694 -3.006 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 O LIG 1 -5.832 -0.335 1.841 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 -6.849 -0.814 1.046 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -6.630 -1.702 -0.011 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -7.712 -2.174 -0.755 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -9.009 -1.772 -0.433 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -9.228 -0.905 0.637 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -8.148 -0.431 1.383 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.599 -0.031 -0.692 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.968 -0.411 -0.140 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.898 0.622 -0.457 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 4.188 0.457 -0.036 0.00 0.00 +0.121 A ATOM 23 C LIG 1 4.689 -0.637 0.672 0.00 0.00 +0.052 A ATOM 24 C LIG 1 6.042 -0.683 1.054 0.00 0.00 -0.002 A ATOM 25 C LIG 1 6.560 -1.866 1.819 0.00 0.00 +0.043 C ATOM 26 C LIG 1 7.869 -1.509 2.506 0.00 0.00 +0.061 C ATOM 27 C LIG 1 8.797 -0.798 1.528 0.00 0.00 +0.281 C ATOM 28 O LIG 1 8.229 0.402 0.984 0.00 0.00 -0.477 OA ATOM 29 C LIG 1 6.891 0.365 0.693 0.00 0.00 +0.125 A ATOM 30 C LIG 1 6.393 1.463 -0.003 0.00 0.00 +0.049 A ATOM 31 C LIG 1 5.046 1.507 -0.366 0.00 0.00 +0.049 A BRANCH 27 32 ATOM 32 C LIG 1 9.304 -1.727 0.419 0.00 0.00 +0.346 C ATOM 33 O LIG 1 9.618 -2.897 0.584 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 9.405 -1.112 -0.785 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 9.075 -0.190 -0.726 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 27 32 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12