REMARK Name = BDB016237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.402 -2.511 -0.504 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -3.874 -1.132 -0.118 0.00 0.00 +0.179 C ATOM 3 O LIG 1 -2.561 -1.039 -0.665 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 -1.757 -0.069 -0.138 0.00 0.00 +0.145 A ATOM 5 C LIG 1 -2.141 1.143 0.444 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -1.135 1.979 0.962 0.00 0.00 +0.030 A ATOM 7 C LIG 1 0.221 1.641 0.875 0.00 0.00 +0.048 A ATOM 8 C LIG 1 0.598 0.454 0.263 0.00 0.00 +0.125 A ATOM 9 N LIG 1 -3.448 1.651 0.561 0.00 0.00 -0.282 N ATOM 10 H LIG 1 -3.558 2.534 1.046 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -4.641 1.203 0.092 0.00 0.00 +0.221 C ATOM 12 O LIG 1 -5.650 1.876 0.322 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -0.394 -0.388 -0.240 0.00 0.00 +0.093 A ATOM 14 C LIG 1 -4.727 -0.044 -0.731 0.00 0.00 +0.140 C ENDROOT BRANCH 8 15 ATOM 15 O LIG 1 1.875 -0.002 0.098 0.00 0.00 -0.487 OA BRANCH 15 16 ATOM 16 C LIG 1 2.933 0.830 0.575 0.00 0.00 +0.264 C BRANCH 16 17 ATOM 17 C LIG 1 4.251 0.141 0.322 0.00 0.00 -0.008 A ATOM 18 C LIG 1 5.317 0.824 -0.272 0.00 0.00 +0.026 A ATOM 19 C LIG 1 6.517 0.155 -0.455 0.00 0.00 +0.111 A ATOM 20 N LIG 1 6.729 -1.126 -0.087 0.00 0.00 -0.263 NA ATOM 21 C LIG 1 5.690 -1.769 0.486 0.00 0.00 +0.111 A ATOM 22 C LIG 1 4.453 -1.187 0.713 0.00 0.00 +0.026 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 TORSDOF 3