REMARK Name = BDB026101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.921 -1.764 -0.156 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.739 -0.430 0.300 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.583 0.274 -0.060 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.389 -0.275 -0.919 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.161 -1.573 -1.389 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.039 -2.161 -2.217 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.960 -2.311 -1.010 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.619 -4.977 -1.018 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.771 -4.269 0.047 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.076 -5.254 0.916 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.995 -5.965 1.814 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.945 -4.648 1.671 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -1.652 -5.295 1.160 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.849 -3.095 1.645 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.038 -2.496 0.299 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.741 -3.353 -0.672 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.592 0.497 -1.287 0.00 0.00 +0.003 A ATOM 18 C LIG 1 2.854 -0.082 -1.399 0.00 0.00 +0.121 A ATOM 19 N LIG 1 3.999 0.582 -1.710 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 3.944 1.911 -1.928 0.00 0.00 +0.121 A ATOM 21 C LIG 1 2.719 2.575 -1.855 0.00 0.00 +0.044 A ATOM 22 C LIG 1 1.550 1.873 -1.537 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 5.111 2.607 -2.252 0.00 0.00 -0.311 N ATOM 24 C LIG 1 6.337 1.805 -2.430 0.00 0.00 +0.137 C ATOM 25 C LIG 1 7.297 1.926 -1.223 0.00 0.00 +0.132 C ATOM 26 C LIG 1 6.798 1.181 0.011 0.00 0.00 +0.039 C ATOM 27 O LIG 1 7.599 3.285 -0.835 0.00 0.00 -0.374 OA ATOM 28 C LIG 1 6.800 4.266 -1.508 0.00 0.00 +0.179 C ATOM 29 C LIG 1 5.313 3.885 -1.535 0.00 0.00 +0.134 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.799 0.089 1.077 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.547 -0.590 1.201 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -3.113 1.295 1.628 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -4.183 1.439 2.221 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.212 2.459 1.466 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -1.216 2.850 2.453 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -0.384 3.873 2.176 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -0.490 4.623 0.889 0.00 0.00 +0.252 A ATOM 38 O LIG 1 0.331 5.503 0.642 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -1.540 4.250 0.049 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -1.741 4.960 -1.206 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -2.370 3.177 0.340 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -1.141 2.095 3.749 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -2.282 2.228 4.472 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -0.964 0.762 3.540 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6