REMARK Name = BDB019855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.058 -0.653 0.597 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.202 0.574 -0.025 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.505 1.089 -0.067 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.544 0.348 0.520 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.304 -0.887 1.144 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.988 -1.369 1.193 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.784 2.374 -0.726 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.433 3.616 -0.146 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -0.755 3.702 1.196 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.708 4.804 -0.843 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.337 4.762 -2.082 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -2.595 5.906 -2.729 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.701 3.555 -2.656 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.426 2.366 -1.981 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.281 -0.885 -0.359 0.00 0.00 -0.303 N ATOM 16 H LIG 1 1.877 -0.526 -1.212 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.433 -1.218 0.673 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.736 -1.954 1.603 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.604 -1.490 -0.469 0.00 0.00 +0.125 C BRANCH 19 23 ATOM 20 C LIG 1 5.505 2.283 2.336 0.00 0.00 +0.044 C ATOM 21 C LIG 1 5.553 0.872 1.834 0.00 0.00 -0.047 A ATOM 22 C LIG 1 4.566 0.388 0.970 0.00 0.00 +0.028 A ATOM 23 C LIG 1 4.642 -0.926 0.499 0.00 0.00 +0.062 A ATOM 24 N LIG 1 5.678 -1.744 0.828 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 6.625 -1.254 1.656 0.00 0.00 +0.111 A ATOM 26 C LIG 1 6.610 0.030 2.174 0.00 0.00 +0.023 A ENDBRANCH 19 23 BRANCH 19 27 ATOM 27 C LIG 1 4.087 -1.282 -1.889 0.00 0.00 +0.015 C ATOM 28 C LIG 1 3.504 -2.098 -3.020 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.921 -2.333 -2.580 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.422 -1.672 1.798 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.626 -1.702 0.991 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -4.770 -2.381 -0.226 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -3.902 -3.037 -0.909 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -2.999 -2.992 -0.436 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -6.116 -2.202 -0.559 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -6.738 -2.842 -1.690 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -6.763 -1.496 0.442 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -5.859 -1.188 1.382 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7