REMARK Name = BDB038479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.461 -0.908 -0.156 0.00 0.00 -0.011 A ATOM 2 C LIG 1 0.158 -0.709 0.328 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.850 -0.282 -0.533 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -0.611 -0.051 -1.842 0.00 0.00 -0.220 NA ATOM 5 C LIG 1 0.646 -0.244 -2.286 0.00 0.00 +0.132 A ATOM 6 CL LIG 1 0.862 0.066 -3.960 0.00 0.00 -0.062 Cl ATOM 7 C LIG 1 1.701 -0.674 -1.508 0.00 0.00 +0.048 A ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 -2.170 -0.069 -0.092 0.00 0.00 -0.248 N ATOM 9 C LIG 1 -2.694 -0.308 1.170 0.00 0.00 +0.253 C ATOM 10 O LIG 1 -2.185 -0.770 2.173 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -4.105 0.099 1.118 0.00 0.00 +0.042 A ATOM 12 C LIG 1 -5.052 0.064 2.124 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -6.337 0.509 1.815 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -6.641 0.972 0.520 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -5.667 1.001 -0.497 0.00 0.00 +0.060 A ATOM 16 C LIG 1 -4.390 0.554 -0.167 0.00 0.00 -0.006 A ATOM 17 C LIG 1 -3.160 0.463 -1.014 0.00 0.00 +0.151 C BRANCH 15 18 ATOM 18 C LIG 1 -5.985 1.492 -1.883 0.00 0.00 +0.418 C ATOM 19 F LIG 1 -5.763 0.541 -2.831 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -5.222 2.561 -2.241 0.00 0.00 -0.166 F ATOM 21 F LIG 1 -7.279 1.884 -2.042 0.00 0.00 -0.166 F ENDBRANCH 15 18 ENDBRANCH 3 8 BRANCH 1 23 ATOM 22 C LIG 1 3.647 -0.543 1.084 0.00 0.00 +0.027 A ATOM 23 C LIG 1 2.538 -1.356 0.746 0.00 0.00 -0.007 A ATOM 24 C LIG 1 2.464 -2.651 1.296 0.00 0.00 +0.009 A ATOM 25 C LIG 1 3.451 -3.132 2.158 0.00 0.00 +0.001 A ATOM 26 C LIG 1 4.531 -2.324 2.494 0.00 0.00 +0.001 A ATOM 27 C LIG 1 4.626 -1.037 1.965 0.00 0.00 +0.012 A BRANCH 22 30 ATOM 28 C LIG 1 5.959 0.550 -0.691 0.00 0.00 +0.152 C ATOM 29 N LIG 1 4.825 1.287 -0.201 0.00 0.00 -0.317 N ATOM 30 C LIG 1 3.786 0.820 0.568 0.00 0.00 +0.164 A ATOM 31 N LIG 1 2.926 1.809 0.731 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 3.409 2.922 0.085 0.00 0.00 -0.138 NA ATOM 33 C LIG 1 4.550 2.592 -0.471 0.00 0.00 +0.225 A ENDBRANCH 22 30 ENDBRANCH 1 23 TORSDOF 4