REMARK Name = BDB026000 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.662 -0.740 -0.404 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.837 0.344 -0.002 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.561 0.250 -0.080 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.190 -0.893 -0.604 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.359 -1.929 -1.045 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.890 -3.041 -1.579 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.031 -1.857 -0.955 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.243 -3.677 -1.340 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.860 -2.328 -0.955 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.388 -2.376 0.433 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.595 -1.547 0.540 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.389 -1.964 1.454 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.449 -3.113 1.835 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.593 -0.678 1.119 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.048 -0.671 -0.249 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.952 -1.118 -1.320 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.657 -0.978 -0.694 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.433 0.065 -1.191 0.00 0.00 +0.121 A ATOM 19 N LIG 1 4.787 0.053 -1.296 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 5.459 -1.042 -0.886 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.761 -2.144 -0.395 0.00 0.00 +0.044 A ATOM 22 C LIG 1 3.366 -2.111 -0.294 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 6.844 -1.070 -1.008 0.00 0.00 -0.311 N ATOM 24 C LIG 1 7.450 0.090 -1.684 0.00 0.00 +0.134 C ATOM 25 C LIG 1 8.971 -0.112 -1.769 0.00 0.00 +0.178 C ATOM 26 O LIG 1 9.617 -0.240 -0.491 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.723 -0.643 0.555 0.00 0.00 +0.178 C ATOM 28 C LIG 1 7.641 -1.635 0.095 0.00 0.00 +0.134 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.505 1.520 0.408 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.511 1.456 0.283 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.966 2.728 0.773 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.217 3.041 0.832 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.005 3.754 1.082 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -2.089 5.008 0.340 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -3.026 5.916 0.677 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -3.961 5.653 1.799 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -4.820 6.464 2.119 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.796 4.451 2.445 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.424 4.287 3.224 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.842 3.524 2.108 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -1.130 5.224 -0.796 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -1.298 4.264 -1.746 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -1.368 6.409 -1.427 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6