REMARK Name = BDB064608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.770 0.952 -1.064 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.498 1.328 -0.674 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.259 0.698 -0.905 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 1.661 1.776 -1.276 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.005 -0.671 0.035 0.00 0.00 +0.237 C ATOM 6 N LIG 1 2.304 -1.101 -1.101 0.00 0.00 -0.286 N ATOM 7 C LIG 1 0.955 -0.564 -1.308 0.00 0.00 +0.164 C ATOM 8 C LIG 1 0.076 -1.554 -0.553 0.00 0.00 +0.065 C ATOM 9 C LIG 1 0.718 -2.888 -0.950 0.00 0.00 +0.134 C ATOM 10 C LIG 1 2.202 -2.552 -1.225 0.00 0.00 +0.140 C ATOM 11 O LIG 1 2.486 -0.033 0.952 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 0.074 -3.355 -2.134 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 0.499 -4.189 -2.401 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 4.519 -0.949 0.001 0.00 0.00 +0.162 C BRANCH 14 17 ATOM 15 C LIG 1 6.003 2.094 -1.693 0.00 0.00 +0.109 C ATOM 16 C LIG 1 5.636 0.645 -1.508 0.00 0.00 +0.211 C ATOM 17 N LIG 1 5.150 0.341 -0.257 0.00 0.00 -0.304 N ATOM 18 H LIG 1 4.792 1.115 0.292 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 5.791 -0.182 -2.401 0.00 0.00 -0.276 OA ENDBRANCH 14 17 BRANCH 14 20 ATOM 20 C LIG 1 5.045 -1.491 1.328 0.00 0.00 +0.018 C ATOM 21 C LIG 1 5.114 -0.608 2.610 0.00 0.00 +0.006 C ATOM 22 C LIG 1 6.374 -1.410 3.000 0.00 0.00 +0.001 C ATOM 23 C LIG 1 6.580 -1.684 1.495 0.00 0.00 +0.006 C ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 -0.881 2.736 -0.627 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 -1.549 3.105 -1.964 0.00 0.00 +0.231 C ATOM 26 O LIG 1 -2.039 2.283 -2.736 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 -1.624 4.441 -2.246 0.00 0.00 -0.328 N ATOM 28 H LIG 1 -0.932 5.075 -1.866 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 -1.961 4.657 -3.177 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 -1.790 3.061 0.570 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 -2.982 2.144 0.734 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -4.168 2.373 0.029 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.252 1.500 0.164 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -5.185 0.379 1.005 0.00 0.00 -0.018 A ATOM 35 C LIG 1 -3.992 0.162 1.712 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -2.905 1.030 1.579 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 -6.326 -0.542 1.137 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -6.844 -0.878 2.399 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -7.926 -1.754 2.524 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -8.508 -2.311 1.388 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -8.010 -1.991 0.128 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -6.928 -1.115 0.005 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10