REMARK Name = BDB032372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.559 -0.350 -0.023 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -0.960 -1.427 -0.688 0.00 0.00 +0.042 A ATOM 3 C LIG 1 0.420 -1.452 -0.879 0.00 0.00 +0.128 A ATOM 4 F LIG 1 0.959 -2.495 -1.527 0.00 0.00 -0.205 F ATOM 5 C LIG 1 1.238 -0.419 -0.417 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.633 0.668 0.232 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.750 0.701 0.429 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -3.057 -0.306 0.172 0.00 0.00 +0.050 C BRANCH 8 9 ATOM 9 C LIG 1 -3.763 0.383 -1.009 0.00 0.00 +0.089 C BRANCH 9 14 ATOM 10 C LIG 1 -9.387 0.764 -0.067 0.00 0.00 +0.105 C ATOM 11 N LIG 1 -7.994 0.809 -0.488 0.00 0.00 -0.303 NA ATOM 12 C LIG 1 -7.493 -0.527 -0.864 0.00 0.00 +0.099 C ATOM 13 C LIG 1 -5.957 -0.721 -0.732 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -5.217 0.528 -0.908 0.00 0.00 -0.300 NA ATOM 15 C LIG 1 -5.656 1.563 0.041 0.00 0.00 +0.100 C ATOM 16 C LIG 1 -7.127 1.426 0.522 0.00 0.00 +0.099 C ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 5 17 ATOM 17 C LIG 1 2.726 -0.455 -0.661 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 N LIG 1 3.442 -0.202 0.588 0.00 0.00 -0.340 N ATOM 19 H LIG 1 3.039 -0.725 1.363 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 4.840 -0.251 0.609 0.00 0.00 +0.028 A ATOM 21 C LIG 1 5.644 -0.061 -0.520 0.00 0.00 +0.031 A ATOM 22 C LIG 1 7.053 -0.045 -0.441 0.00 0.00 -0.011 A ATOM 23 C LIG 1 7.691 -0.193 0.807 0.00 0.00 +0.022 A ATOM 24 C LIG 1 9.108 -0.171 0.825 0.00 0.00 +0.124 A ATOM 25 N LIG 1 9.855 -0.015 -0.283 0.00 0.00 -0.240 NA ATOM 26 C LIG 1 9.211 0.128 -1.457 0.00 0.00 +0.113 A ATOM 27 C LIG 1 6.876 -0.342 1.950 0.00 0.00 +0.014 A ATOM 28 C LIG 1 7.835 0.120 -1.587 0.00 0.00 +0.028 A ATOM 29 C LIG 1 5.480 -0.355 1.847 0.00 0.00 +0.023 A BRANCH 24 30 ATOM 30 N LIG 1 9.824 -0.308 2.026 0.00 0.00 -0.343 N ATOM 31 H LIG 1 9.561 0.443 2.655 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 9.582 -1.195 2.456 0.00 0.00 +0.144 HD ENDBRANCH 24 30 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 7