REMARK Name = BDB011910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.366 0.077 -0.231 0.00 0.00 +0.240 C ATOM 2 N LIG 1 0.364 0.048 -1.392 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.836 -0.108 -1.340 0.00 0.00 +0.193 C ATOM 4 C LIG 1 2.171 -0.519 -2.752 0.00 0.00 -0.014 A ATOM 5 C LIG 1 1.026 -0.452 -3.559 0.00 0.00 -0.025 A ATOM 6 C LIG 1 1.073 -0.776 -4.904 0.00 0.00 +0.005 A ATOM 7 C LIG 1 2.294 -1.184 -5.443 0.00 0.00 +0.000 A ATOM 8 C LIG 1 3.442 -1.254 -4.639 0.00 0.00 +0.000 A ATOM 9 C LIG 1 3.387 -0.918 -3.284 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -0.143 0.033 -2.762 0.00 0.00 +0.144 C ATOM 11 O LIG 1 0.206 0.009 0.867 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.446 1.260 -0.967 0.00 0.00 +0.242 C ATOM 13 N LIG 1 3.166 1.458 0.178 0.00 0.00 -0.279 N ATOM 14 H LIG 1 3.201 2.446 0.411 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 2.202 2.276 -1.636 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 3.706 0.592 1.147 0.00 0.00 +0.105 A ATOM 17 C LIG 1 3.912 1.129 2.425 0.00 0.00 +0.147 A ATOM 18 F LIG 1 3.581 2.408 2.665 0.00 0.00 -0.203 F ATOM 19 C LIG 1 4.445 0.373 3.469 0.00 0.00 +0.040 A ATOM 20 C LIG 1 4.809 -0.951 3.243 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.658 -1.494 1.969 0.00 0.00 +0.040 A ATOM 22 C LIG 1 4.124 -0.721 0.933 0.00 0.00 +0.147 A ATOM 23 F LIG 1 4.127 -1.257 -0.293 0.00 0.00 -0.203 F ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 -1.908 0.187 -0.295 0.00 0.00 +0.188 C BRANCH 24 26 ATOM 25 C LIG 1 -3.656 -0.759 1.216 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -2.405 -0.225 1.022 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -1.716 -0.421 1.751 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -4.513 -0.804 0.338 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -3.919 -1.233 2.658 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -4.317 -0.025 3.504 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -2.441 -3.167 2.661 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -2.702 -1.853 3.244 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -2.850 -1.972 4.247 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 -2.438 1.593 -0.669 0.00 0.00 +0.144 C ATOM 35 C LIG 1 -1.600 2.727 -0.076 0.00 0.00 +0.040 C BRANCH 34 36 ATOM 36 O LIG 1 -2.511 1.702 -2.099 0.00 0.00 -0.378 OA ATOM 37 C LIG 1 -3.410 2.708 -2.549 0.00 0.00 +0.194 C ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 8