REMARK Name = BDB007211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.314 -0.418 -0.396 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -4.774 0.760 -0.999 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -3.877 1.819 -1.165 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -2.539 1.690 -0.757 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -1.557 2.813 -0.925 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -0.132 2.346 -1.200 0.00 0.00 +0.225 C ATOM 7 N LIG 1 0.249 1.104 -0.661 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -0.642 0.435 0.315 0.00 0.00 +0.142 C ATOM 9 O LIG 1 0.619 3.112 -1.810 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.089 0.510 -0.156 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -2.982 -0.556 0.002 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.472 0.924 1.764 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.087 0.210 2.811 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.956 0.618 4.142 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.199 1.743 4.449 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -0.035 2.246 6.086 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 0.432 2.458 3.437 0.00 0.00 +0.020 A ATOM 18 C LIG 1 0.300 2.050 2.106 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 1.540 0.520 -0.942 0.00 0.00 +0.037 A ATOM 20 C LIG 1 2.233 0.820 -2.124 0.00 0.00 +0.024 A ATOM 21 C LIG 1 3.480 0.248 -2.413 0.00 0.00 +0.007 A ATOM 22 C LIG 1 4.078 -0.649 -1.524 0.00 0.00 -0.030 A ATOM 23 C LIG 1 3.393 -0.965 -0.346 0.00 0.00 +0.007 A ATOM 24 C LIG 1 2.146 -0.392 -0.062 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 5.438 -1.264 -1.846 0.00 0.00 +0.084 C ATOM 26 C LIG 1 5.231 -2.753 -2.173 0.00 0.00 +0.029 C BRANCH 25 27 ATOM 27 N LIG 1 6.408 -1.066 -0.748 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 7.723 -1.656 -1.011 0.00 0.00 +0.085 C ATOM 29 C LIG 1 8.632 -0.990 0.012 0.00 0.00 +0.017 C ATOM 30 C LIG 1 7.928 0.307 0.388 0.00 0.00 +0.017 C ATOM 31 C LIG 1 6.691 0.354 -0.493 0.00 0.00 +0.085 C ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 32 ATOM 32 O LIG 1 -6.090 0.776 -1.375 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -6.560 1.924 -2.067 0.00 0.00 +0.277 C ENDBRANCH 2 32 BRANCH 1 34 ATOM 34 O LIG 1 -5.154 -1.493 -0.241 0.00 0.00 -0.485 OA BRANCH 34 35 ATOM 35 C LIG 1 -5.684 -1.567 1.093 0.00 0.00 +0.170 C ATOM 36 C LIG 1 -5.374 -2.961 1.633 0.00 0.00 +0.052 C BRANCH 35 38 ATOM 37 C LIG 1 -7.995 -2.144 0.114 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -7.193 -1.276 1.075 0.00 0.00 +0.041 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 8