REMARK Name = BDB025756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.597 -0.887 0.083 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.148 0.290 -0.160 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.544 0.278 -0.066 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.241 -0.897 0.275 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.478 -2.052 0.510 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.081 -3.203 0.847 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.087 -2.056 0.418 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.230 -3.896 -0.211 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.743 -2.555 -0.755 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.749 -2.021 0.197 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.956 -1.583 -0.510 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.223 -0.937 1.068 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.919 -1.003 2.431 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.688 -0.990 1.278 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.004 -0.828 -0.020 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.575 -1.604 -1.143 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.712 -0.901 0.377 0.00 0.00 +0.003 A ATOM 18 C LIG 1 4.497 -1.924 -0.148 0.00 0.00 +0.121 A ATOM 19 N LIG 1 5.854 -1.978 -0.098 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 6.516 -0.968 0.502 0.00 0.00 +0.121 A ATOM 21 C LIG 1 5.812 0.091 1.075 0.00 0.00 +0.044 A ATOM 22 C LIG 1 4.416 0.126 1.009 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 7.925 -0.997 0.584 0.00 0.00 -0.321 N ATOM 24 C LIG 1 8.486 -2.285 0.175 0.00 0.00 +0.130 C ATOM 25 C LIG 1 8.547 0.157 -0.066 0.00 0.00 +0.130 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 26 ATOM 26 N LIG 1 -0.615 1.430 -0.496 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.612 1.219 -0.514 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -0.172 2.693 -0.792 0.00 0.00 +0.250 C ATOM 29 O LIG 1 0.987 3.086 -0.836 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.281 3.625 -1.147 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -2.317 4.063 -0.217 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -3.260 4.928 -0.643 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -3.253 5.431 -2.039 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -4.116 6.200 -2.438 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -2.229 4.976 -2.830 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -2.210 5.334 -3.778 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -1.260 4.103 -2.402 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -2.286 3.567 1.194 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.633 2.256 1.260 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.068 3.694 1.771 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.164 4.229 1.994 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 6