REMARK Name = BDB062010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.283 -2.224 -2.472 0.00 0.00 +0.017 C ATOM 2 C LIG 1 -0.076 -2.416 -0.990 0.00 0.00 +0.112 C ATOM 3 N LIG 1 0.930 -3.265 -0.347 0.00 0.00 -0.297 N ATOM 4 C LIG 1 1.696 -2.923 0.763 0.00 0.00 +0.249 C ATOM 5 O LIG 1 2.484 -3.682 1.323 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 1.077 -4.594 -0.934 0.00 0.00 +0.108 C ATOM 7 C LIG 1 1.419 -4.485 -2.420 0.00 0.00 +0.019 C ATOM 8 C LIG 1 0.422 -3.592 -3.166 0.00 0.00 +0.007 C ENDROOT BRANCH 4 9 ATOM 9 C LIG 1 1.610 -1.547 1.269 0.00 0.00 +0.072 A ATOM 10 C LIG 1 0.989 -1.296 2.487 0.00 0.00 +0.135 A ATOM 11 F LIG 1 0.442 -2.288 3.205 0.00 0.00 -0.205 F ATOM 12 C LIG 1 0.882 0.009 2.958 0.00 0.00 +0.039 A ATOM 13 C LIG 1 1.404 1.063 2.204 0.00 0.00 +0.007 A ATOM 14 C LIG 1 2.062 0.821 0.985 0.00 0.00 -0.041 A ATOM 15 C LIG 1 2.162 -0.498 0.522 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 2.590 1.976 0.162 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 4.013 1.762 -0.337 0.00 0.00 +0.074 A ATOM 18 C LIG 1 5.161 1.973 0.583 0.00 0.00 +0.011 A ATOM 19 C LIG 1 6.436 1.735 0.073 0.00 0.00 +0.050 A ATOM 20 C LIG 1 7.571 1.902 0.878 0.00 0.00 +0.014 A ATOM 21 C LIG 1 7.426 2.311 2.204 0.00 0.00 +0.001 A ATOM 22 C LIG 1 6.154 2.553 2.719 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.581 1.308 -1.328 0.00 0.00 +0.272 A ATOM 24 O LIG 1 7.683 1.099 -1.823 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 5.415 1.165 -2.041 0.00 0.00 -0.242 N ATOM 26 H LIG 1 5.498 0.867 -3.008 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 5.021 2.385 1.915 0.00 0.00 +0.010 A ATOM 28 N LIG 1 4.157 1.376 -1.573 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 4 9 BRANCH 1 29 ATOM 29 C LIG 1 -0.674 -1.269 -3.199 0.00 0.00 +0.125 C BRANCH 29 30 ATOM 30 C LIG 1 -2.140 -1.587 -3.019 0.00 0.00 +0.308 C ATOM 31 O LIG 1 -2.610 -2.715 -2.973 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 O LIG 1 -2.852 -0.432 -2.920 0.00 0.00 -0.460 OA BRANCH 32 33 ATOM 33 C LIG 1 -4.239 -0.595 -2.595 0.00 0.00 +0.267 C BRANCH 33 41 ATOM 34 C LIG 1 -1.954 4.335 -1.503 0.00 0.00 +0.020 C ATOM 35 C LIG 1 -2.283 3.638 -0.407 0.00 0.00 +0.040 C ATOM 36 C LIG 1 -3.599 3.049 -0.041 0.00 0.00 +0.089 C ATOM 37 C LIG 1 -3.414 2.878 1.459 0.00 0.00 +0.189 C ATOM 38 C LIG 1 -4.159 1.676 2.028 0.00 0.00 +0.057 C ATOM 39 C LIG 1 -3.950 0.349 1.243 0.00 0.00 -0.003 C ATOM 40 C LIG 1 -4.082 0.566 -0.272 0.00 0.00 -0.038 C ATOM 41 C LIG 1 -4.410 -0.621 -1.086 0.00 0.00 -0.011 C ATOM 42 C LIG 1 -4.834 -1.760 -0.502 0.00 0.00 -0.020 C ATOM 43 C LIG 1 -5.051 -1.952 0.966 0.00 0.00 +0.028 C ATOM 44 C LIG 1 -5.046 -0.633 1.731 0.00 0.00 +0.015 C ATOM 45 C LIG 1 -2.551 -0.231 1.550 0.00 0.00 +0.016 C ATOM 46 O LIG 1 -2.007 2.792 1.711 0.00 0.00 -0.457 OA ATOM 47 C LIG 1 -3.901 1.790 -0.810 0.00 0.00 -0.011 C ATOM 48 C LIG 1 -1.326 3.377 0.689 0.00 0.00 +0.336 C ATOM 49 O LIG 1 -0.138 3.640 0.689 0.00 0.00 -0.245 OA ENDBRANCH 33 41 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 8