REMARK Name = BDB027686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.406 0.627 0.146 0.00 0.00 +0.130 A ATOM 2 C LIG 1 1.957 -0.664 0.170 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.038 -1.709 0.071 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.568 -2.991 0.105 0.00 0.00 +0.139 A ATOM 5 N LIG 1 2.885 -3.311 0.217 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 3.743 -2.280 0.290 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -0.283 -1.513 -0.052 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 -0.712 -0.242 -0.096 0.00 0.00 +0.162 A ATOM 9 C LIG 1 3.338 -0.959 0.272 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.086 0.834 -0.001 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.161 -0.010 -0.250 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -3.072 -1.075 -0.322 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -4.425 -0.807 -0.466 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -4.939 0.436 -0.545 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -4.061 1.456 -0.477 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -2.692 1.286 -0.333 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 18 ATOM 17 C LIG 1 1.593 3.037 0.213 0.00 0.00 +0.127 C ATOM 18 N LIG 1 2.264 1.746 0.256 0.00 0.00 -0.332 N ATOM 19 H LIG 1 2.819 1.647 1.102 0.00 0.00 +0.147 HD ENDBRANCH 1 18 TORSDOF 2