REMARK Name = BDB035903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.314 -3.141 2.908 0.00 0.00 +0.050 C ATOM 2 C LIG 1 2.505 -1.826 2.211 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.506 -1.294 1.383 0.00 0.00 +0.144 A ATOM 4 C LIG 1 1.696 -0.069 0.745 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.633 0.468 -0.126 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -0.617 -0.337 -0.232 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -0.641 -1.501 0.436 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.802 1.526 -0.722 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.886 0.646 0.924 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.900 0.133 1.744 0.00 0.00 +0.003 A ATOM 11 O LIG 1 0.351 -2.022 1.229 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.691 -1.098 2.379 0.00 0.00 +0.134 A ATOM 13 F LIG 1 4.646 -1.587 3.186 0.00 0.00 -0.205 F ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -1.771 0.081 -1.054 0.00 0.00 -0.011 A ATOM 15 C LIG 1 -3.084 0.009 -0.549 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -4.224 0.378 -1.302 0.00 0.00 -0.033 A ATOM 17 C LIG 1 -3.971 0.874 -2.595 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.679 0.964 -3.116 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -1.586 0.563 -2.352 0.00 0.00 +0.009 A BRANCH 16 20 ATOM 20 C LIG 1 -5.732 0.256 -0.689 0.00 0.00 +0.056 C ATOM 21 C LIG 1 -6.874 -0.143 -1.694 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -6.643 -1.619 -1.296 0.00 0.00 -0.012 C ATOM 23 C LIG 1 -7.877 -2.492 -1.189 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -6.042 -1.106 0.035 0.00 0.00 +0.022 C BRANCH 20 25 ATOM 25 C LIG 1 -6.086 1.574 0.141 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -7.113 1.833 1.016 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -8.187 0.990 1.463 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -6.947 3.124 1.424 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -5.899 3.643 0.836 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -5.364 2.675 0.027 0.00 0.00 -0.134 NA ENDBRANCH 20 25 ENDBRANCH 16 20 ENDBRANCH 6 14 BRANCH 10 31 ATOM 31 C LIG 1 5.198 0.882 1.931 0.00 0.00 +0.122 C BRANCH 31 32 ATOM 32 N LIG 1 6.303 0.347 1.117 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 6.134 0.653 -0.314 0.00 0.00 +0.088 C ATOM 34 C LIG 1 7.274 0.056 -1.158 0.00 0.00 +0.000 C ATOM 35 C LIG 1 7.092 0.401 -2.635 0.00 0.00 +0.009 C ATOM 36 C LIG 1 8.634 0.543 -0.653 0.00 0.00 +0.006 C ATOM 37 C LIG 1 8.767 0.284 0.842 0.00 0.00 +0.016 C ATOM 38 C LIG 1 7.585 0.871 1.613 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5