REMARK Name = BDB058264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.963 1.015 -0.586 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.493 -0.270 -0.877 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.143 -0.443 -1.149 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.430 -1.724 -1.461 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.118 -1.207 -2.074 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.858 0.161 -1.425 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.961 0.065 -0.217 0.00 0.00 +0.273 C ATOM 8 O LIG 1 1.155 -0.575 0.806 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.127 0.823 -0.495 0.00 0.00 -0.195 N ATOM 10 C LIG 1 -0.035 1.355 -1.731 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.875 2.054 -2.277 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.156 1.030 -2.309 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 3.252 0.636 -1.132 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.703 1.918 -0.873 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.065 2.102 -0.611 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 9.212 -1.567 0.886 0.00 0.00 +0.129 C ATOM 17 N LIG 1 8.128 -0.728 0.439 0.00 0.00 -0.302 N ATOM 18 H LIG 1 7.263 -0.804 0.954 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 8.383 0.537 0.000 0.00 0.00 +0.304 C ATOM 20 N LIG 1 7.311 1.317 -0.313 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.586 2.287 -0.411 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 9.515 1.011 -0.066 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.311 0.884 0.331 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.226 -0.294 -0.031 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.370 -0.490 0.733 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -4.277 -1.624 0.412 0.00 0.00 +0.180 C ATOM 27 C LIG 1 -5.169 -1.273 -0.787 0.00 0.00 +0.036 C ATOM 28 C LIG 1 -5.550 0.211 -0.849 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -6.101 0.755 0.450 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.320 0.862 1.624 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -5.913 1.405 2.782 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.246 1.814 2.789 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.011 1.696 1.637 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.443 1.173 0.477 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.856 0.460 1.735 0.00 0.00 +0.143 C ATOM 36 O LIG 1 -1.956 -1.037 -0.975 0.00 0.00 -0.274 OA BRANCH 26 37 ATOM 37 C LIG 1 -3.660 -3.036 0.275 0.00 0.00 +0.408 C ATOM 38 F LIG 1 -2.739 -3.259 1.242 0.00 0.00 -0.169 F ATOM 39 F LIG 1 -4.635 -3.970 0.448 0.00 0.00 -0.169 F ATOM 40 F LIG 1 -3.095 -3.289 -0.919 0.00 0.00 -0.169 F ENDBRANCH 26 37 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4