REMARK Name = BDB030379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.905 0.057 1.208 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -1.754 1.146 1.021 0.00 0.00 +0.164 A ATOM 3 F LIG 1 -1.605 2.239 1.786 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -2.749 1.131 0.043 0.00 0.00 +0.180 A ATOM 5 F LIG 1 -3.489 2.241 -0.109 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -2.942 0.021 -0.795 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -2.079 -1.087 -0.604 0.00 0.00 +0.061 A ATOM 8 C LIG 1 -1.069 -1.060 0.378 0.00 0.00 +0.021 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -2.208 -2.290 -1.475 0.00 0.00 +0.243 C ATOM 10 O LIG 1 -2.634 -2.208 -2.621 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.863 -3.501 -0.939 0.00 0.00 -0.325 N ATOM 12 H LIG 1 -2.068 -4.313 -1.508 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 -1.761 -3.650 0.055 0.00 0.00 +0.145 HD ENDBRANCH 7 9 BRANCH 6 14 ATOM 14 N LIG 1 -3.973 -0.043 -1.759 0.00 0.00 -0.309 N ATOM 15 H LIG 1 -3.764 -0.688 -2.534 0.00 0.00 +0.152 HD BRANCH 14 16 ATOM 16 C LIG 1 -5.263 0.513 -1.847 0.00 0.00 +0.067 A ATOM 17 C LIG 1 -5.890 0.577 -3.104 0.00 0.00 +0.145 A ATOM 18 F LIG 1 -5.260 0.078 -4.179 0.00 0.00 -0.204 F ATOM 19 C LIG 1 -7.152 1.140 -3.279 0.00 0.00 +0.054 A ATOM 20 C LIG 1 -7.817 1.661 -2.176 0.00 0.00 +0.016 A ATOM 21 I LIG 1 -9.700 2.507 -2.406 0.00 0.00 -0.044 I ATOM 22 C LIG 1 -7.224 1.617 -0.915 0.00 0.00 +0.016 A ATOM 23 C LIG 1 -5.954 1.047 -0.756 0.00 0.00 +0.027 A ENDBRANCH 14 16 ENDBRANCH 6 14 BRANCH 1 24 ATOM 24 C LIG 1 0.193 0.105 2.240 0.00 0.00 +0.076 C BRANCH 24 28 ATOM 25 C LIG 1 3.647 0.148 0.618 0.00 0.00 +0.083 A ATOM 26 C LIG 1 2.433 -0.298 1.151 0.00 0.00 +0.149 A ATOM 27 F LIG 1 2.153 -1.612 1.131 0.00 0.00 -0.203 F ATOM 28 C LIG 1 1.505 0.598 1.687 0.00 0.00 -0.006 A ATOM 29 C LIG 1 1.814 1.966 1.676 0.00 0.00 +0.007 A ATOM 30 C LIG 1 3.033 2.415 1.158 0.00 0.00 +0.002 A ATOM 31 C LIG 1 3.956 1.505 0.637 0.00 0.00 +0.027 A BRANCH 25 32 ATOM 32 N LIG 1 4.612 -0.799 0.140 0.00 0.00 -0.218 N ATOM 33 H LIG 1 4.181 -1.636 -0.265 0.00 0.00 +0.173 HD BRANCH 32 34 ATOM 34 S LIG 1 5.742 -1.338 1.293 0.00 0.00 +0.043 S ATOM 35 O LIG 1 5.412 -0.809 2.598 0.00 0.00 -0.155 OA ATOM 36 O LIG 1 5.873 -2.760 1.058 0.00 0.00 -0.155 OA BRANCH 34 38 ATOM 37 C LIG 1 8.431 -0.916 1.527 0.00 0.00 +0.030 C ATOM 38 C LIG 1 7.224 -0.538 0.693 0.00 0.00 +0.185 C ENDBRANCH 34 38 ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 8