REMARK Name = BDB025794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.781 0.305 -0.265 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.517 0.666 0.182 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.789 1.965 0.629 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.212 2.952 0.640 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -1.484 2.580 0.182 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -2.486 3.474 0.179 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.769 1.289 -0.264 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.797 -1.988 -3.118 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.263 -1.511 -1.756 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.612 -2.458 -0.653 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.067 -2.554 -0.476 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.938 -2.031 0.611 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.204 -2.996 1.778 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.398 -1.934 0.432 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.006 -1.024 -0.663 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -1.730 -1.279 -1.921 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 0.073 4.317 1.113 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -0.321 5.453 0.391 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -0.043 6.742 0.869 0.00 0.00 +0.073 A ATOM 20 C LIG 1 0.643 6.849 2.067 0.00 0.00 +0.123 A ATOM 21 N LIG 1 1.044 5.789 2.800 0.00 0.00 -0.262 NA ATOM 22 C LIG 1 0.753 4.559 2.308 0.00 0.00 +0.119 A BRANCH 19 23 ATOM 23 C LIG 1 -0.428 7.976 0.115 0.00 0.00 +0.419 C ATOM 24 F LIG 1 0.603 8.481 -0.615 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -0.840 8.988 0.928 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -1.446 7.773 -0.767 0.00 0.00 -0.166 F ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 27 ATOM 27 N LIG 1 1.490 -0.352 0.103 0.00 0.00 -0.280 N ATOM 28 H LIG 1 1.123 -1.197 -0.331 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 2.812 -0.301 0.466 0.00 0.00 +0.250 C ATOM 30 O LIG 1 3.420 0.636 0.963 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 3.530 -1.574 0.173 0.00 0.00 +0.065 A ATOM 32 C LIG 1 4.554 -1.666 -0.854 0.00 0.00 +0.073 A ATOM 33 C LIG 1 5.158 -2.850 -1.067 0.00 0.00 +0.083 A ATOM 34 C LIG 1 4.809 -4.053 -0.265 0.00 0.00 +0.252 A ATOM 35 O LIG 1 5.386 -5.110 -0.498 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 3.827 -3.871 0.705 0.00 0.00 -0.318 N ATOM 37 C LIG 1 3.444 -4.994 1.548 0.00 0.00 +0.152 C ATOM 38 C LIG 1 3.211 -2.647 0.913 0.00 0.00 +0.102 A BRANCH 32 39 ATOM 39 C LIG 1 4.882 -0.446 -1.660 0.00 0.00 +0.418 C ATOM 40 F LIG 1 5.529 0.498 -0.936 0.00 0.00 -0.166 F ATOM 41 F LIG 1 5.690 -0.739 -2.715 0.00 0.00 -0.166 F ATOM 42 F LIG 1 3.771 0.128 -2.188 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 6