REMARK Name = BDB002703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.004 2.537 0.071 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.163 1.317 -0.080 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.576 -0.033 0.150 0.00 0.00 +0.003 A ATOM 4 C LIG 1 -0.483 -0.860 -0.113 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.561 -2.258 0.018 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -1.775 -2.819 0.425 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -2.877 -2.015 0.693 0.00 0.00 +0.001 A ATOM 8 N LIG 1 0.564 -0.038 -0.484 0.00 0.00 -0.343 N ATOM 9 C LIG 1 -2.790 -0.626 0.559 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.170 1.283 -0.466 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.079 2.411 -0.820 0.00 0.00 +0.064 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 1.897 -0.518 -0.823 0.00 0.00 +0.137 C BRANCH 12 13 ATOM 13 C LIG 1 2.761 -0.692 0.418 0.00 0.00 +0.140 C BRANCH 13 14 ATOM 14 C LIG 1 4.097 -1.159 0.041 0.00 0.00 +0.064 C ATOM 15 N LIG 1 5.152 -1.528 -0.272 0.00 0.00 -0.197 NA ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 8 12 TORSDOF 3