REMARK Name = BDB007738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.007 -0.249 -0.480 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -0.981 -1.112 -0.898 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.736 -1.851 -1.546 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.217 0.863 -0.015 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.775 -0.125 -0.888 0.00 0.00 +0.028 A ATOM 6 C LIG 1 2.427 0.240 -0.752 0.00 0.00 +0.036 A ATOM 7 C LIG 1 1.411 -0.721 -0.649 0.00 0.00 +0.038 A ATOM 8 C LIG 1 1.738 -2.079 -0.687 0.00 0.00 +0.013 A ATOM 9 C LIG 1 3.066 -2.460 -0.865 0.00 0.00 +0.003 A ATOM 10 C LIG 1 4.069 -1.490 -0.983 0.00 0.00 +0.023 A BRANCH 5 11 ATOM 11 N LIG 1 4.723 0.889 -1.053 0.00 0.00 -0.339 N ATOM 12 H LIG 1 4.408 1.760 -0.625 0.00 0.00 +0.146 HD BRANCH 11 17 ATOM 13 C LIG 1 10.050 1.163 1.850 0.00 0.00 +0.109 C ATOM 14 C LIG 1 8.652 0.602 1.853 0.00 0.00 +0.213 C ATOM 15 N LIG 1 7.881 0.881 0.750 0.00 0.00 -0.300 N ATOM 16 C LIG 1 6.522 0.375 0.626 0.00 0.00 +0.130 C ATOM 17 C LIG 1 6.143 0.626 -0.841 0.00 0.00 +0.089 C ATOM 18 C LIG 1 6.969 1.874 -1.175 0.00 0.00 +0.042 C ATOM 19 C LIG 1 8.272 1.635 -0.427 0.00 0.00 +0.109 C ATOM 20 O LIG 1 8.236 -0.062 2.800 0.00 0.00 -0.276 OA ENDBRANCH 11 17 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 -2.372 -0.687 -0.970 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 -3.304 -1.903 -1.058 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 -2.869 -2.733 -2.155 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -3.436 -3.524 -2.156 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -4.777 -1.497 -1.283 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -5.355 -0.613 -0.261 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -6.657 -0.090 -0.727 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -7.409 0.714 0.314 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -7.105 0.591 1.680 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -7.834 1.324 2.625 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -8.878 2.154 2.220 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -9.196 2.264 0.868 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.953 -0.276 2.116 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -8.467 1.546 -0.081 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.530 -1.283 1.037 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 8