REMARK Name = BDB026139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.652 -1.113 0.057 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.424 -0.228 0.311 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.723 -0.743 0.464 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.993 -2.122 0.376 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.913 -2.975 0.133 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.104 -4.300 0.037 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.380 -2.486 -0.025 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.218 -1.463 -2.281 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.857 -0.112 -1.646 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.653 0.290 -0.461 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.089 0.335 -0.691 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.259 -0.348 0.818 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.758 -1.782 1.045 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.722 -0.273 1.061 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.988 -0.743 -0.124 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.324 -0.043 -1.376 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.365 -2.636 0.535 0.00 0.00 -0.014 A ATOM 18 C LIG 1 4.423 -2.129 -0.242 0.00 0.00 +0.024 A ATOM 19 C LIG 1 5.735 -2.613 -0.099 0.00 0.00 +0.072 A ATOM 20 C LIG 1 5.985 -3.614 0.840 0.00 0.00 +0.136 A ATOM 21 F LIG 1 7.218 -4.112 1.018 0.00 0.00 -0.205 F ATOM 22 C LIG 1 4.956 -4.131 1.621 0.00 0.00 +0.040 A ATOM 23 C LIG 1 3.655 -3.646 1.468 0.00 0.00 +0.011 A BRANCH 19 24 ATOM 24 C LIG 1 6.796 -2.039 -0.968 0.00 0.00 +0.244 C ATOM 25 O LIG 1 6.537 -1.206 -1.828 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 8.081 -2.465 -0.789 0.00 0.00 -0.325 N ATOM 27 H LIG 1 8.343 -3.161 -0.102 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 8.796 -2.073 -1.387 0.00 0.00 +0.145 HD ENDBRANCH 19 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 0.149 1.155 0.406 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -0.820 1.392 0.249 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 1.030 2.190 0.622 0.00 0.00 +0.249 C ATOM 32 O LIG 1 2.240 2.137 0.780 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 0.393 3.530 0.656 0.00 0.00 +0.049 A ATOM 34 C LIG 1 0.877 4.576 -0.151 0.00 0.00 +0.070 A ATOM 35 C LIG 1 0.263 5.838 -0.049 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -0.802 6.034 0.824 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -1.375 7.241 0.902 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -1.280 4.999 1.618 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -0.680 3.743 1.540 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 2.023 4.375 -1.113 0.00 0.00 +0.418 C ATOM 41 F LIG 1 1.931 3.219 -1.825 0.00 0.00 -0.166 F ATOM 42 F LIG 1 3.241 4.392 -0.515 0.00 0.00 -0.166 F ATOM 43 F LIG 1 2.071 5.362 -2.058 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6