REMARK Name = BDB027031 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.453 -1.831 -0.036 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.145 -3.322 0.036 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.515 -4.055 1.177 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.246 -5.422 1.264 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.615 -6.077 0.209 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.262 -5.370 -0.938 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.531 -4.003 -1.028 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 0.292 -0.638 -1.798 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 0.261 -1.026 -0.625 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -0.893 -0.728 0.237 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -2.039 0.071 -0.099 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -2.887 0.086 1.007 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -4.110 0.778 1.028 0.00 0.00 +0.052 A ATOM 14 C LIG 1 -4.490 1.489 -0.125 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -3.653 1.489 -1.247 0.00 0.00 +0.027 A ATOM 16 N LIG 1 -2.292 -0.677 1.982 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -2.689 -0.855 2.895 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -2.437 0.789 -1.244 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -1.092 -1.165 1.535 0.00 0.00 +0.095 A BRANCH 14 20 ATOM 20 N LIG 1 -5.724 2.208 -0.150 0.00 0.00 -0.306 N ATOM 21 C LIG 1 -6.657 2.309 0.862 0.00 0.00 +0.204 A ATOM 22 N LIG 1 -7.694 3.048 0.532 0.00 0.00 -0.244 NA ATOM 23 C LIG 1 -7.444 3.453 -0.745 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -6.243 2.953 -1.189 0.00 0.00 +0.112 A ENDBRANCH 14 20 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 25 ATOM 25 N LIG 1 2.677 -1.631 -0.851 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 2.383 -1.514 -1.825 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.499 -0.492 -0.434 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 2.910 0.893 -0.738 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 3.873 1.999 -0.373 0.00 0.00 -0.046 A ATOM 30 C LIG 1 4.820 2.450 -1.306 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.721 3.459 -0.964 0.00 0.00 +0.038 A ATOM 32 C LIG 1 5.678 4.013 0.309 0.00 0.00 +0.123 A ATOM 33 F LIG 1 6.544 4.981 0.637 0.00 0.00 -0.205 F ATOM 34 C LIG 1 4.752 3.577 1.249 0.00 0.00 +0.038 A ATOM 35 C LIG 1 3.849 2.568 0.910 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8