REMARK Name = BDB035906 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.748 0.710 -4.875 0.00 0.00 +0.050 C ATOM 2 C LIG 1 2.080 0.800 -3.415 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.069 0.919 -2.450 0.00 0.00 +0.144 A ATOM 4 C LIG 1 1.392 1.011 -1.095 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.310 1.143 -0.101 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -1.084 1.140 -0.626 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -1.231 1.051 -1.957 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.567 1.248 1.093 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.729 0.983 -0.685 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.757 0.858 -1.632 0.00 0.00 +0.003 A ATOM 11 O LIG 1 -0.232 0.943 -2.892 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.414 0.777 -2.987 0.00 0.00 +0.134 A ATOM 13 F LIG 1 4.391 0.674 -3.901 0.00 0.00 -0.205 F ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -2.262 1.266 0.252 0.00 0.00 -0.011 A ATOM 15 C LIG 1 -3.328 0.353 0.167 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -4.460 0.472 0.995 0.00 0.00 -0.036 A ATOM 17 C LIG 1 -4.502 1.516 1.931 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.448 2.423 2.028 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.336 2.299 1.194 0.00 0.00 +0.009 A BRANCH 16 20 ATOM 20 C LIG 1 -5.597 -0.547 0.897 0.00 0.00 +0.090 C BRANCH 20 21 ATOM 21 C LIG 1 -6.944 0.125 0.764 0.00 0.00 +0.141 A ATOM 22 N LIG 1 -7.426 0.675 -0.401 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.780 0.726 -1.684 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -8.648 1.195 -0.106 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.916 0.991 1.160 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.845 0.330 1.709 0.00 0.00 -0.134 NA ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 C LIG 1 -5.384 -1.601 1.974 0.00 0.00 +0.004 C ATOM 28 C LIG 1 -5.895 -1.470 3.389 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.497 -2.497 2.466 0.00 0.00 +0.005 C ENDBRANCH 20 27 ENDBRANCH 16 20 ENDBRANCH 6 14 BRANCH 10 30 ATOM 30 C LIG 1 5.206 0.843 -1.202 0.00 0.00 +0.122 C BRANCH 30 31 ATOM 31 N LIG 1 5.490 -0.166 -0.172 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 6.765 0.127 0.509 0.00 0.00 +0.088 C ATOM 33 C LIG 1 7.451 -1.111 1.126 0.00 0.00 +0.000 C ATOM 34 C LIG 1 8.408 -0.706 2.244 0.00 0.00 +0.009 C ATOM 35 C LIG 1 6.408 -2.114 1.617 0.00 0.00 +0.006 C ATOM 36 C LIG 1 5.476 -2.534 0.476 0.00 0.00 +0.016 C ATOM 37 C LIG 1 5.450 -1.535 -0.687 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6