REMARK Name = BDB000692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.796 -0.078 0.268 0.00 0.00 +0.122 A ATOM 2 C LIG 1 1.101 -1.362 0.938 0.00 0.00 +0.350 A ATOM 3 O LIG 1 0.215 -2.168 1.218 0.00 0.00 -0.244 OA ATOM 4 O LIG 1 2.429 -1.636 1.244 0.00 0.00 -0.422 OA ATOM 5 C LIG 1 3.454 -0.727 0.933 0.00 0.00 +0.139 A ATOM 6 C LIG 1 3.167 0.478 0.306 0.00 0.00 +0.019 A ATOM 7 C LIG 1 4.215 1.355 0.013 0.00 0.00 +0.015 A ATOM 8 C LIG 1 5.536 1.025 0.356 0.00 0.00 -0.050 A ATOM 9 C LIG 1 5.798 -0.206 0.976 0.00 0.00 +0.007 A ATOM 10 C LIG 1 6.663 1.954 0.009 0.00 0.00 +0.044 C ATOM 11 C LIG 1 4.756 -1.084 1.270 0.00 0.00 +0.047 A ATOM 12 C LIG 1 1.786 0.784 -0.025 0.00 0.00 +0.031 A ENDROOT BRANCH 1 15 ATOM 13 N LIG 1 -1.585 -0.573 0.201 0.00 0.00 -0.281 N ATOM 14 H LIG 1 -1.288 -1.433 0.662 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -0.599 0.337 -0.117 0.00 0.00 +0.255 C ATOM 16 O LIG 1 -0.781 1.418 -0.672 0.00 0.00 -0.270 OA BRANCH 13 21 ATOM 17 C LIG 1 -7.252 -0.418 -0.637 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -5.771 -0.427 -0.402 0.00 0.00 -0.050 A ATOM 19 C LIG 1 -4.976 0.637 -0.838 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -3.588 0.619 -0.649 0.00 0.00 +0.023 A ATOM 21 C LIG 1 -2.973 -0.469 -0.031 0.00 0.00 +0.034 A ATOM 22 C LIG 1 -3.768 -1.542 0.391 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -5.154 -1.525 0.203 0.00 0.00 +0.005 A ENDBRANCH 13 21 ENDBRANCH 1 15 TORSDOF 2