REMARK Name = BDB010956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.865 0.200 -0.009 0.00 0.00 -0.251 N ATOM 2 C LIG 1 0.295 -0.033 -0.748 0.00 0.00 +0.267 A ATOM 3 O LIG 1 0.409 0.009 -1.971 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 1.482 -0.471 0.023 0.00 0.00 +0.066 A ATOM 5 C LIG 1 1.340 -0.705 1.393 0.00 0.00 +0.090 A ATOM 6 C LIG 1 2.449 -1.147 2.128 0.00 0.00 +0.081 A ATOM 7 C LIG 1 3.681 -1.341 1.473 0.00 0.00 +0.019 A ATOM 8 C LIG 1 3.826 -1.096 0.099 0.00 0.00 -0.032 A ATOM 9 N LIG 1 0.118 -0.493 2.040 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 2.710 -0.668 -0.624 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.877 -0.050 1.344 0.00 0.00 +0.209 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.484 0.898 -0.803 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -3.313 0.385 -0.199 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -2.031 0.699 -0.670 0.00 0.00 +0.145 A ATOM 15 N LIG 1 -1.874 1.496 -1.743 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -2.976 2.008 -2.316 0.00 0.00 +0.215 A ATOM 17 F LIG 1 -2.808 2.823 -3.367 0.00 0.00 -0.184 F ATOM 18 C LIG 1 -4.267 1.754 -1.888 0.00 0.00 +0.064 A BRANCH 12 22 ATOM 19 C LIG 1 -8.155 -1.807 -1.699 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -6.918 -0.956 -1.496 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -6.266 -1.010 -0.095 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -5.966 0.528 -0.232 0.00 0.00 +0.056 C ATOM 23 C LIG 1 -7.150 0.557 -1.264 0.00 0.00 +0.022 C BRANCH 22 24 ATOM 24 C LIG 1 -6.216 1.317 1.134 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -7.358 1.500 1.873 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -8.700 1.044 1.636 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -6.988 2.230 2.966 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -5.702 2.471 2.922 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -5.217 1.895 1.779 0.00 0.00 -0.134 NA ENDBRANCH 22 24 ENDBRANCH 12 22 ENDBRANCH 1 14 BRANCH 6 30 ATOM 30 C LIG 1 2.327 -1.410 3.607 0.00 0.00 +0.419 C ATOM 31 F LIG 1 1.402 -2.363 3.913 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.493 -1.863 4.162 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.000 -0.303 4.331 0.00 0.00 -0.166 F ENDBRANCH 6 30 BRANCH 8 34 ATOM 34 C LIG 1 5.156 -1.321 -0.594 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 6.272 -0.630 0.068 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 7.557 -1.219 -0.342 0.00 0.00 +0.088 C ATOM 37 C LIG 1 8.744 -0.308 -0.003 0.00 0.00 +0.000 C ATOM 38 C LIG 1 10.075 -1.001 -0.288 0.00 0.00 +0.009 C ATOM 39 C LIG 1 8.642 1.017 -0.774 0.00 0.00 +0.006 C ATOM 40 C LIG 1 7.198 1.383 -1.116 0.00 0.00 +0.016 C ATOM 41 C LIG 1 6.217 0.833 -0.084 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 6