REMARK Name = BDB003690 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.252 -0.241 -0.625 0.00 0.00 +0.026 A ATOM 2 C LIG 1 -0.045 0.674 -0.666 0.00 0.00 +0.261 A ATOM 3 O LIG 1 -0.153 1.824 -1.084 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 1.125 0.106 -0.217 0.00 0.00 -0.260 N ATOM 5 C LIG 1 1.262 -1.204 0.240 0.00 0.00 +0.137 A ATOM 6 N LIG 1 2.579 -1.438 0.624 0.00 0.00 -0.338 N ATOM 7 H LIG 1 2.988 -2.358 0.543 0.00 0.00 +0.167 HD ATOM 8 C LIG 1 3.302 -0.286 0.270 0.00 0.00 +0.065 A ATOM 9 C LIG 1 4.643 -0.019 0.426 0.00 0.00 +0.028 A ATOM 10 C LIG 1 5.094 1.255 0.062 0.00 0.00 +0.002 A ATOM 11 C LIG 1 4.202 2.232 -0.428 0.00 0.00 +0.002 A ATOM 12 C LIG 1 2.836 1.961 -0.560 0.00 0.00 +0.028 A ATOM 13 C LIG 1 0.202 -2.029 0.238 0.00 0.00 +0.096 A ATOM 14 C LIG 1 2.407 0.703 -0.197 0.00 0.00 +0.075 A ATOM 15 C LIG 1 -1.109 -1.528 -0.212 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -2.249 -2.518 -0.161 0.00 0.00 +0.045 C ENDROOT BRANCH 13 17 ATOM 17 C LIG 1 0.363 -3.374 0.686 0.00 0.00 +0.103 C ATOM 18 N LIG 1 0.505 -4.472 1.034 0.00 0.00 -0.191 NA ENDBRANCH 13 17 BRANCH 1 19 ATOM 19 C LIG 1 -2.539 0.395 -1.108 0.00 0.00 +0.070 C BRANCH 19 21 ATOM 20 C LIG 1 -4.605 0.411 0.309 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -3.399 0.929 0.022 0.00 0.00 -0.075 C ATOM 22 C LIG 1 -2.864 2.116 0.778 0.00 0.00 +0.039 C ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 3