REMARK Name = BDB064654 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.031 -1.476 1.046 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.053 -2.311 1.183 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.050 -3.320 1.233 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.902 -0.251 1.041 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.195 -0.805 -0.851 0.00 0.00 +0.224 C ATOM 6 N LIG 1 -3.493 -1.432 0.372 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -2.410 -2.171 1.028 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -2.524 -3.569 0.434 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -4.044 -3.763 0.400 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -4.638 -2.337 0.322 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -2.233 -1.151 -1.537 0.00 0.00 -0.275 OA BRANCH 9 12 ATOM 12 O LIG 1 -4.466 -4.399 1.606 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -4.121 -5.311 1.597 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.210 0.268 -1.313 0.00 0.00 +0.109 C BRANCH 14 15 ATOM 15 C LIG 1 -4.785 1.107 -0.184 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -3.992 1.663 0.819 0.00 0.00 +0.115 A ATOM 17 N LIG 1 -4.468 2.430 1.830 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 -5.797 2.654 1.852 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -6.676 2.151 0.909 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -6.160 1.366 -0.120 0.00 0.00 +0.007 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 -4.751 1.898 -3.216 0.00 0.00 +0.008 C ATOM 22 C LIG 1 -3.652 1.103 -2.504 0.00 0.00 -0.001 C ATOM 23 C LIG 1 -2.497 2.039 -2.131 0.00 0.00 +0.008 C ENDBRANCH 14 22 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.417 -1.792 1.276 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 2.260 -2.911 1.907 0.00 0.00 +0.231 C ATOM 26 O LIG 1 1.913 -4.092 1.902 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 3.438 -2.538 2.485 0.00 0.00 -0.328 N ATOM 28 H LIG 1 4.034 -3.263 2.861 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 3.818 -1.604 2.379 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 1.960 -1.393 -0.106 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.191 -0.520 -0.034 0.00 0.00 -0.045 A ATOM 32 C LIG 1 3.079 0.820 0.357 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.217 1.624 0.463 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.493 1.109 0.185 0.00 0.00 -0.018 A ATOM 35 C LIG 1 5.595 -0.233 -0.212 0.00 0.00 +0.009 A ATOM 36 C LIG 1 4.458 -1.038 -0.327 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 6.689 1.953 0.300 0.00 0.00 -0.018 A ATOM 38 C LIG 1 7.693 1.655 1.235 0.00 0.00 +0.008 A ATOM 39 C LIG 1 8.832 2.457 1.343 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.984 3.570 0.516 0.00 0.00 +0.000 A ATOM 41 C LIG 1 7.998 3.880 -0.418 0.00 0.00 +0.001 A ATOM 42 C LIG 1 6.858 3.079 -0.523 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10