REMARK Name = BDB020207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.651 -2.206 -1.477 0.00 0.00 +0.149 C ATOM 2 N LIG 1 -1.828 -1.203 -0.839 0.00 0.00 -0.349 N ATOM 3 C LIG 1 -2.300 -0.188 -0.036 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -1.192 0.569 0.355 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.402 1.685 1.193 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -2.699 2.009 1.608 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.784 1.240 1.202 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.028 -0.027 -0.235 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -3.606 0.129 0.374 0.00 0.00 +0.026 A ATOM 10 C LIG 1 -0.466 -1.128 -0.949 0.00 0.00 +0.090 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.394 0.443 -0.074 0.00 0.00 +0.108 C ATOM 12 C LIG 1 2.145 0.522 -1.405 0.00 0.00 +0.227 C ATOM 13 O LIG 1 1.633 0.850 -2.474 0.00 0.00 -0.275 OA ATOM 14 N LIG 1 3.501 0.283 -1.355 0.00 0.00 -0.256 N ATOM 15 H LIG 1 3.991 0.372 -2.234 0.00 0.00 +0.157 HD ATOM 16 C LIG 1 4.287 0.095 -0.247 0.00 0.00 +0.219 C ATOM 17 O LIG 1 5.510 0.040 -0.338 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 3.574 0.041 1.080 0.00 0.00 +0.097 C ATOM 19 C LIG 1 2.149 -0.455 0.912 0.00 0.00 +0.027 C ENDBRANCH 8 11 TORSDOF 1