REMARK Name = BDB025979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.644 -1.375 0.015 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.017 -0.147 -0.320 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.346 -0.102 -0.635 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.119 -1.272 -0.619 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.492 -2.478 -0.287 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.192 -3.623 -0.253 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.134 -2.536 0.024 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.151 -4.117 -1.070 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.855 -2.776 -0.823 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.639 -2.881 0.436 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.018 -2.428 0.227 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.007 -2.161 1.575 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.415 -2.824 2.895 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.456 -2.123 1.491 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.030 -1.379 0.291 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.869 -1.579 -0.915 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.562 -1.211 -0.930 0.00 0.00 -0.024 C ATOM 18 C LIG 1 4.408 -0.294 -0.063 0.00 0.00 +0.143 C ATOM 19 N LIG 1 5.840 -0.525 -0.279 0.00 0.00 -0.295 N ATOM 20 C LIG 1 6.261 -0.720 -1.666 0.00 0.00 +0.112 C ATOM 21 C LIG 1 5.523 -1.916 -2.282 0.00 0.00 +0.046 C ATOM 22 C LIG 1 4.064 -1.950 -1.937 0.00 0.00 -0.020 C BRANCH 19 23 ATOM 23 C LIG 1 6.648 0.349 0.456 0.00 0.00 +0.218 A ATOM 24 N LIG 1 7.911 0.573 0.048 0.00 0.00 -0.223 NA ATOM 25 C LIG 1 8.679 1.396 0.786 0.00 0.00 +0.116 A ATOM 26 C LIG 1 8.244 2.017 1.927 0.00 0.00 +0.039 A ATOM 27 C LIG 1 6.950 1.738 2.276 0.00 0.00 +0.116 A ATOM 28 N LIG 1 6.147 0.920 1.567 0.00 0.00 -0.223 NA ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -0.849 0.993 -0.283 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.796 0.762 0.007 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.516 2.299 -0.540 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.573 2.754 -0.857 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.674 3.216 -0.361 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.724 3.381 -1.352 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.732 4.234 -1.094 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -3.789 5.006 0.177 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -4.737 5.760 0.370 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.732 4.799 1.060 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -2.697 5.537 2.314 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -1.698 3.920 0.781 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -2.632 2.616 -2.635 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.466 2.828 -3.289 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.627 2.945 -3.501 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.743 1.279 -2.426 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6