REMARK Name = BDB064871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.007 -1.552 1.076 0.00 0.00 +0.000 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -2.770 0.106 0.282 0.00 0.00 +0.000 N ATOM 3 H LIG 1 -3.149 -0.652 -0.332 0.00 0.00 +0.000 HD ATOM 4 C LIG 1 -1.585 -0.161 1.049 0.00 0.00 +0.000 C ATOM 5 O LIG 1 -1.055 0.749 1.744 0.00 0.00 +0.000 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.490 1.381 0.333 0.00 0.00 +0.000 C BRANCH 6 7 ATOM 7 C LIG 1 -3.508 2.015 -1.080 0.00 0.00 +0.000 C BRANCH 7 9 ATOM 8 C LIG 1 -2.422 4.282 -0.557 0.00 0.00 +0.000 C ATOM 9 C LIG 1 -3.649 3.559 -1.133 0.00 0.00 +0.000 C ATOM 10 C LIG 1 -4.941 4.071 -0.485 0.00 0.00 +0.000 C ENDBRANCH 7 9 ENDBRANCH 6 7 BRANCH 6 11 ATOM 11 B LIG 1 -4.964 1.103 0.900 0.00 0.00 +0.000 B BRANCH 11 12 ATOM 12 O LIG 1 -5.371 1.667 2.185 0.00 0.00 +0.000 OA ATOM 13 H LIG 1 -5.114 0.982 2.852 0.00 0.00 +0.000 HD ENDBRANCH 11 12 BRANCH 11 14 ATOM 14 O LIG 1 -5.902 0.277 0.142 0.00 0.00 +0.000 OA ATOM 15 H LIG 1 -5.738 -0.646 0.460 0.00 0.00 +0.000 HD ENDBRANCH 11 14 ENDBRANCH 6 11 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 16 ATOM 16 N LIG 1 0.454 -1.484 0.988 0.00 0.00 +0.000 N ATOM 17 H LIG 1 0.980 -1.098 1.805 0.00 0.00 +0.000 HD ATOM 18 C LIG 1 1.176 -1.788 -0.217 0.00 0.00 +0.000 C ATOM 19 O LIG 1 0.551 -1.954 -1.300 0.00 0.00 +0.000 OA BRANCH 18 20 ATOM 20 C LIG 1 2.654 -1.861 -0.216 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.362 -2.365 0.893 0.00 0.00 +0.000 A ATOM 22 F LIG 1 2.709 -2.852 1.978 0.00 0.00 +0.000 F ATOM 23 C LIG 1 4.758 -2.418 0.870 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.462 -1.974 -0.250 0.00 0.00 +0.000 A ATOM 25 C LIG 1 4.775 -1.468 -1.365 0.00 0.00 +0.000 A ATOM 26 C LIG 1 3.371 -1.436 -1.349 0.00 0.00 +0.000 A BRANCH 25 27 ATOM 27 C LIG 1 5.538 -0.998 -2.579 0.00 0.00 +0.000 C BRANCH 27 28 ATOM 28 C LIG 1 6.501 0.113 -2.230 0.00 0.00 +0.000 A ATOM 29 C LIG 1 6.089 1.431 -1.923 0.00 0.00 +0.000 A ATOM 30 C LIG 1 7.077 2.384 -1.571 0.00 0.00 +0.000 A ATOM 31 C LIG 1 6.694 3.701 -1.252 0.00 0.00 +0.000 A ATOM 32 C LIG 1 5.350 4.073 -1.287 0.00 0.00 +0.000 A ATOM 33 C LIG 1 4.375 3.142 -1.643 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.425 1.990 -1.549 0.00 0.00 +0.000 A ATOM 35 O LIG 1 9.334 2.808 -1.242 0.00 0.00 +0.000 OA ATOM 36 N LIG 1 8.755 0.711 -1.866 0.00 0.00 +0.000 N ATOM 37 H LIG 1 9.757 0.416 -1.852 0.00 0.00 +0.000 HD ATOM 38 C LIG 1 4.737 1.831 -1.962 0.00 0.00 +0.000 A ATOM 39 N LIG 1 7.826 -0.188 -2.189 0.00 0.00 +0.000 NA ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 1 40 ATOM 40 C LIG 1 -1.415 -2.292 2.362 0.00 0.00 +0.000 C BRANCH 40 41 ATOM 41 C LIG 1 -2.908 -2.410 2.494 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -3.772 -3.167 1.726 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -5.038 -2.913 2.189 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -6.161 -3.511 1.618 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -5.959 -4.397 0.544 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -4.654 -4.665 0.073 0.00 0.00 +0.000 A ATOM 47 N LIG 1 -5.013 -2.039 3.209 0.00 0.00 +0.000 N ATOM 48 H LIG 1 -5.831 -1.664 3.740 0.00 0.00 +0.000 HD ATOM 49 C LIG 1 -3.540 -4.046 0.668 0.00 0.00 +0.000 A ATOM 50 C LIG 1 -3.712 -1.727 3.403 0.00 0.00 +0.000 A ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 13