REMARK Name = BDB011911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.034 -2.213 -0.512 0.00 0.00 +0.240 C ATOM 2 N LIG 1 1.028 -2.354 0.413 0.00 0.00 -0.280 N ATOM 3 C LIG 1 -0.308 -1.721 0.413 0.00 0.00 +0.193 C ATOM 4 C LIG 1 -1.081 -2.636 1.337 0.00 0.00 -0.014 A ATOM 5 C LIG 1 -0.194 -3.483 2.017 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -0.648 -4.395 2.954 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -2.021 -4.462 3.197 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -2.913 -3.625 2.508 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.446 -2.701 1.569 0.00 0.00 +0.006 A ATOM 10 C LIG 1 1.210 -3.227 1.568 0.00 0.00 +0.144 C ATOM 11 O LIG 1 3.146 -2.722 -0.330 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -0.264 -0.283 1.005 0.00 0.00 +0.242 C ATOM 13 N LIG 1 -1.450 0.410 0.808 0.00 0.00 -0.279 N ATOM 14 H LIG 1 -2.007 0.138 0.002 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 0.732 0.168 1.565 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 -1.853 1.612 1.437 0.00 0.00 +0.105 A ATOM 17 C LIG 1 -1.317 2.138 2.615 0.00 0.00 +0.147 A ATOM 18 F LIG 1 -0.388 1.484 3.324 0.00 0.00 -0.203 F ATOM 19 C LIG 1 -1.788 3.342 3.146 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -2.822 4.035 2.517 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -3.396 3.507 1.364 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -2.916 2.306 0.846 0.00 0.00 +0.147 A ATOM 23 F LIG 1 -3.489 1.810 -0.263 0.00 0.00 -0.203 F ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 1.754 -1.389 -1.783 0.00 0.00 +0.187 C BRANCH 24 26 ATOM 25 C LIG 1 0.911 0.949 -1.826 0.00 0.00 +0.230 C ATOM 26 N LIG 1 1.877 0.033 -1.478 0.00 0.00 -0.301 N ATOM 27 H LIG 1 2.816 0.356 -1.265 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -0.213 0.594 -2.180 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 1.387 2.424 -1.769 0.00 0.00 +0.137 C ATOM 30 C LIG 1 1.658 2.880 -0.339 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -0.746 3.671 -1.865 0.00 0.00 +0.101 C ATOM 32 N LIG 1 0.492 3.315 -2.544 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 0.251 2.831 -3.411 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 2.765 -1.786 -2.889 0.00 0.00 +0.141 C ATOM 35 C LIG 1 2.403 -1.190 -4.244 0.00 0.00 +0.040 C BRANCH 34 36 ATOM 36 O LIG 1 4.084 -1.330 -2.553 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 4.344 -1.835 -1.752 0.00 0.00 +0.210 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 8