REMARK Name = BDB020461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.363 1.232 -1.460 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.536 0.495 -1.129 0.00 0.00 +0.010 A ATOM 3 C LIG 1 2.748 0.807 -1.774 0.00 0.00 +0.072 A ATOM 4 N LIG 1 3.899 0.166 -1.515 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 3.910 -0.845 -0.608 0.00 0.00 +0.083 A ATOM 6 C LIG 1 2.785 -1.223 0.111 0.00 0.00 +0.044 A ATOM 7 C LIG 1 2.767 1.821 -2.721 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.621 2.540 -3.057 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.592 -0.542 -0.172 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.418 2.244 -2.429 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.990 2.166 0.251 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -3.825 1.696 1.115 0.00 0.00 +0.171 C ATOM 13 N LIG 1 -2.766 1.118 0.303 0.00 0.00 -0.318 N ATOM 14 C LIG 1 -1.671 1.839 -0.095 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -0.911 0.953 -0.825 0.00 0.00 +0.094 A ATOM 16 N LIG 1 -1.519 -0.276 -0.866 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 -1.522 3.253 0.288 0.00 0.00 +0.163 C ATOM 18 N LIG 1 -2.111 3.459 1.604 0.00 0.00 -0.297 N ATOM 19 C LIG 1 -1.676 4.638 2.332 0.00 0.00 +0.132 C ATOM 20 C LIG 1 -2.642 -0.161 -0.180 0.00 0.00 +0.115 A ATOM 21 C LIG 1 -3.315 2.862 1.967 0.00 0.00 +0.238 C ATOM 22 O LIG 1 -3.980 3.255 2.929 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.630 -1.268 0.039 0.00 0.00 +0.060 C ATOM 24 C LIG 1 -4.210 -1.759 -1.298 0.00 0.00 +0.039 C ATOM 25 C LIG 1 -4.611 -3.228 -1.237 0.00 0.00 +0.160 C ATOM 26 O LIG 1 -5.059 -3.552 0.076 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -3.991 -3.554 1.026 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -2.982 -2.430 0.796 0.00 0.00 +0.039 C ENDBRANCH 20 23 ENDBRANCH 1 15 BRANCH 5 29 ATOM 29 C LIG 1 5.208 -1.471 -0.443 0.00 0.00 +0.038 A ATOM 30 C LIG 1 6.391 -0.772 -0.306 0.00 0.00 +0.118 A ATOM 31 N LIG 1 7.377 -1.707 -0.199 0.00 0.00 -0.274 N ATOM 32 C LIG 1 8.791 -1.466 -0.052 0.00 0.00 +0.172 C ATOM 33 N LIG 1 6.921 -2.973 -0.242 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 5.606 -2.826 -0.430 0.00 0.00 +0.144 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 2.808 -2.301 1.149 0.00 0.00 +0.374 C ATOM 36 F LIG 1 1.714 -2.283 1.968 0.00 0.00 -0.204 F ATOM 37 F LIG 1 2.827 -3.549 0.605 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 4