REMARK Name = BDB025823 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.772 0.858 0.356 0.00 0.00 +0.021 A ATOM 2 C LIG 1 1.230 2.112 0.045 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.038 3.164 -0.164 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.144 2.321 -0.081 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.041 1.269 0.100 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.513 -0.007 0.427 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.868 -0.202 0.549 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.433 1.400 -0.047 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.119 2.514 0.632 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.329 3.783 -0.247 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.245 4.734 0.544 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.870 3.486 -1.608 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -3.955 4.703 -2.425 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.025 2.445 -2.269 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.560 2.042 -3.653 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.928 1.151 -1.416 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.942 0.177 0.670 0.00 0.00 +0.215 A ATOM 18 N LIG 1 5.202 -0.690 -0.048 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 3.871 -0.435 -0.121 0.00 0.00 +0.123 A ATOM 20 C LIG 1 3.225 0.648 0.481 0.00 0.00 +0.003 A ATOM 21 C LIG 1 4.044 1.519 1.212 0.00 0.00 +0.015 A ATOM 22 C LIG 1 5.415 1.285 1.309 0.00 0.00 +0.068 A BRANCH 17 23 ATOM 23 O LIG 1 7.304 -0.010 0.790 0.00 0.00 -0.474 OA BRANCH 23 24 ATOM 24 C LIG 1 7.765 -1.206 0.157 0.00 0.00 +0.258 C BRANCH 24 25 ATOM 25 C LIG 1 9.277 -1.302 0.360 0.00 0.00 +0.200 C BRANCH 25 27 ATOM 26 C LIG 1 9.949 -2.533 -1.562 0.00 0.00 +0.194 C ATOM 27 O LIG 1 9.835 -2.516 -0.145 0.00 0.00 -0.380 OA ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -1.470 -1.023 0.649 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.422 -0.672 0.564 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.255 -2.333 0.995 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.185 -2.902 1.160 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.527 -3.076 1.213 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.381 -3.544 0.134 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.505 -4.217 0.440 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.888 -4.486 1.853 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -5.931 -5.090 2.079 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.004 -4.015 2.820 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -4.290 -4.260 4.225 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -2.846 -3.330 2.491 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -2.968 -3.284 -1.280 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.028 -1.960 -1.576 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.777 -3.908 -2.177 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.707 -3.700 -1.544 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 9