REMARK Name = BDB010814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.082 -2.205 -0.122 0.00 0.00 +0.140 A ATOM 2 N LIG 1 -0.640 -0.905 0.080 0.00 0.00 -0.320 N ATOM 3 C LIG 1 0.610 -0.797 -0.502 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.769 -2.005 -1.163 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.823 -2.318 -1.932 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.710 -1.318 -1.994 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.657 -0.126 -1.372 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.613 0.171 -0.577 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.260 -2.859 -0.916 0.00 0.00 -0.208 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.900 -1.584 -2.832 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.000 -2.760 -3.473 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.340 -3.520 -3.454 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.157 -2.740 -4.146 0.00 0.00 +0.440 A ATOM 14 O LIG 1 5.597 -3.638 -4.846 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.773 -1.535 -3.915 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.909 -0.799 -3.041 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -3.396 -2.547 -0.221 0.00 0.00 +0.016 C ATOM 18 C LIG 1 -2.271 -2.712 0.505 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -2.237 -3.498 1.844 0.00 0.00 -0.010 C ATOM 20 C LIG 1 -3.634 -3.876 2.387 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.447 -4.807 1.636 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -1.533 -2.668 2.938 0.00 0.00 +0.015 C ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 23 ATOM 23 N LIG 1 1.569 1.367 0.110 0.00 0.00 -0.324 N ATOM 24 H LIG 1 1.039 1.325 0.969 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 2.675 2.327 0.174 0.00 0.00 +0.072 C ATOM 26 C LIG 1 3.243 2.715 -1.190 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 3.794 1.977 1.158 0.00 0.00 +0.009 C ATOM 28 C LIG 1 3.403 1.627 2.624 0.00 0.00 +0.005 C ATOM 29 C LIG 1 4.690 0.774 2.678 0.00 0.00 +0.001 C ATOM 30 C LIG 1 4.559 0.620 1.147 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 -1.357 0.155 0.773 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -1.779 1.342 -0.117 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -2.271 2.500 0.766 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -2.731 3.695 -0.065 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -3.810 3.297 -1.079 0.00 0.00 -0.014 C ATOM 36 C LIG 1 -4.218 4.497 -1.931 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.324 2.144 -1.964 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.862 0.948 -1.132 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8