REMARK Name = BDB023620 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.957 0.162 0.485 0.00 0.00 -0.017 A ATOM 2 C LIG 1 0.721 0.778 0.219 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -0.476 0.240 0.711 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -1.791 0.940 0.501 0.00 0.00 +0.054 C ATOM 5 C LIG 1 -2.963 -0.049 0.465 0.00 0.00 +0.069 C ATOM 6 C LIG 1 -4.309 0.691 0.421 0.00 0.00 +0.132 C ATOM 7 N LIG 1 -5.167 -0.041 -0.562 0.00 0.00 -0.268 N ATOM 8 C LIG 1 -4.441 -1.257 -0.994 0.00 0.00 +0.117 C ATOM 9 C LIG 1 -2.877 -0.982 1.675 0.00 0.00 +0.225 C ATOM 10 N LIG 1 -1.627 -1.442 2.003 0.00 0.00 -0.285 N ATOM 11 H LIG 1 -1.595 -2.166 2.710 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 -3.859 -1.404 2.280 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -2.976 -0.886 -0.824 0.00 0.00 +0.037 C ATOM 14 C LIG 1 -0.438 -0.918 1.490 0.00 0.00 +0.037 A ATOM 15 C LIG 1 0.774 -1.534 1.784 0.00 0.00 +0.024 A ATOM 16 C LIG 1 1.962 -1.000 1.276 0.00 0.00 +0.010 A ENDROOT BRANCH 1 22 ATOM 17 C LIG 1 6.204 -0.310 -2.126 0.00 0.00 +0.065 C ATOM 18 C LIG 1 5.264 0.510 -1.294 0.00 0.00 +0.039 A ATOM 19 N LIG 1 5.612 1.793 -1.047 0.00 0.00 -0.260 NA ATOM 20 C LIG 1 4.764 2.531 -0.302 0.00 0.00 +0.111 A ATOM 21 C LIG 1 3.572 2.051 0.214 0.00 0.00 +0.028 A ATOM 22 C LIG 1 3.211 0.724 -0.040 0.00 0.00 -0.015 A ATOM 23 C LIG 1 4.085 -0.053 -0.811 0.00 0.00 +0.031 A ENDBRANCH 1 22 BRANCH 7 24 ATOM 24 C LIG 1 -6.500 0.084 -0.613 0.00 0.00 +0.169 C ATOM 25 N LIG 1 -7.650 0.197 -0.664 0.00 0.00 -0.174 NA ENDBRANCH 7 24 TORSDOF 2