REMARK Name = BDB035875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.323 0.542 -1.300 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -2.213 0.107 -0.683 0.00 0.00 +0.101 A ATOM 3 N LIG 1 -1.053 0.871 -0.603 0.00 0.00 -0.267 N ATOM 4 C LIG 1 -0.988 2.140 -1.175 0.00 0.00 +0.152 A ATOM 5 N LIG 1 0.069 2.888 -1.119 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 1.158 2.410 -0.452 0.00 0.00 +0.127 A ATOM 7 C LIG 1 1.251 1.217 0.150 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -2.206 2.627 -1.885 0.00 0.00 +0.098 A ATOM 9 C LIG 1 0.054 0.331 0.052 0.00 0.00 +0.266 A ATOM 10 O LIG 1 0.087 -0.808 0.522 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -3.297 1.842 -1.931 0.00 0.00 +0.022 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.494 0.809 0.837 0.00 0.00 -0.011 A ATOM 13 C LIG 1 3.087 -0.435 0.562 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.274 -0.874 1.190 0.00 0.00 -0.036 A ATOM 15 C LIG 1 4.855 0.017 2.114 0.00 0.00 +0.004 A ATOM 16 C LIG 1 4.284 1.256 2.406 0.00 0.00 +0.001 A ATOM 17 C LIG 1 3.106 1.647 1.775 0.00 0.00 +0.009 A BRANCH 14 18 ATOM 18 C LIG 1 4.934 -2.299 0.854 0.00 0.00 +0.049 C ATOM 19 C LIG 1 3.964 -3.509 0.758 0.00 0.00 +0.174 C ATOM 20 O LIG 1 4.854 -4.330 1.552 0.00 0.00 -0.378 OA ATOM 21 C LIG 1 5.539 -3.135 2.015 0.00 0.00 +0.174 C BRANCH 18 22 ATOM 22 C LIG 1 5.846 -2.210 -0.386 0.00 0.00 +0.092 C BRANCH 22 23 ATOM 23 C LIG 1 6.977 -1.256 -0.197 0.00 0.00 +0.134 A ATOM 24 N LIG 1 7.130 -0.059 -0.848 0.00 0.00 -0.320 N ATOM 25 C LIG 1 6.273 0.518 -1.847 0.00 0.00 +0.151 C ATOM 26 C LIG 1 8.268 0.500 -0.353 0.00 0.00 +0.224 A ATOM 27 N LIG 1 8.792 -0.298 0.546 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 7.984 -1.405 0.641 0.00 0.00 -0.135 NA ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 -2.114 3.975 -2.505 0.00 0.00 +0.421 C ATOM 30 F LIG 1 -3.279 4.317 -3.129 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.879 4.960 -1.602 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.152 4.051 -3.460 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 -4.576 -0.302 -1.396 0.00 0.00 +0.121 C BRANCH 33 37 ATOM 34 C LIG 1 -6.325 -2.095 2.218 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -7.131 -1.264 1.217 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -6.455 -1.232 -0.171 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -5.453 -0.164 -0.227 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -6.084 1.165 -0.137 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -7.395 1.182 0.663 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -7.372 0.150 1.780 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 7