REMARK Name = BDB010533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.248 -2.609 -0.364 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -0.081 -1.870 -0.526 0.00 0.00 +0.115 A ATOM 3 C LIG 1 1.141 -2.495 -0.334 0.00 0.00 +0.184 A ATOM 4 N LIG 1 2.183 -1.659 -0.584 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.643 -0.509 -0.917 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.290 -3.778 0.034 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 0.114 -4.401 0.206 0.00 0.00 +0.202 A ATOM 8 N LIG 1 0.261 -0.566 -0.821 0.00 0.00 -0.308 N ATOM 9 N LIG 1 -1.121 -3.897 0.028 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -4.803 -1.001 -3.510 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -4.357 -1.360 -2.123 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -3.053 -1.823 -1.895 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -2.603 -2.129 -0.598 0.00 0.00 +0.003 A ATOM 14 C LIG 1 -3.506 -1.995 0.467 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -4.801 -1.520 0.253 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -5.220 -1.193 -1.036 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 7 17 ATOM 17 C LIG 1 0.212 -5.814 0.636 0.00 0.00 +0.220 A ATOM 18 N LIG 1 1.425 -6.362 0.814 0.00 0.00 -0.269 N ATOM 19 H LIG 1 2.319 -5.916 0.687 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 1.228 -7.629 1.199 0.00 0.00 +0.440 A ATOM 21 O LIG 1 2.099 -8.445 1.456 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 -0.124 -7.860 1.257 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 -0.760 -6.633 0.877 0.00 0.00 -0.051 NA ENDBRANCH 7 17 BRANCH 5 24 ATOM 24 N LIG 1 2.301 0.625 -1.300 0.00 0.00 -0.289 N ATOM 25 C LIG 1 3.691 0.762 -0.742 0.00 0.00 +0.132 C ATOM 26 C LIG 1 4.560 1.677 -1.647 0.00 0.00 +0.187 C ATOM 27 O LIG 1 4.712 1.177 -2.989 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 3.562 0.450 -3.445 0.00 0.00 +0.179 C ATOM 29 C LIG 1 2.259 0.893 -2.763 0.00 0.00 +0.136 C BRANCH 25 30 ATOM 30 C LIG 1 3.627 1.268 0.694 0.00 0.00 -0.025 A ATOM 31 C LIG 1 3.358 2.611 1.005 0.00 0.00 +0.005 A ATOM 32 C LIG 1 3.303 3.039 2.333 0.00 0.00 +0.000 A ATOM 33 C LIG 1 3.504 2.131 3.369 0.00 0.00 +0.000 A ATOM 34 C LIG 1 3.756 0.792 3.080 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.814 0.364 1.752 0.00 0.00 +0.005 A ENDBRANCH 25 30 ENDBRANCH 5 24 BRANCH 8 36 ATOM 36 C LIG 1 -0.645 0.565 -0.942 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 -1.248 1.032 0.398 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -2.453 1.968 0.165 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -2.071 3.442 0.257 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.494 3.808 1.637 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -2.568 4.389 2.558 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -0.799 2.617 2.320 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -0.176 1.682 1.292 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 6