REMARK Name = BDB038526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.541 0.187 -1.120 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.658 0.869 -1.313 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.904 2.012 -1.652 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.733 -0.093 -1.033 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.101 0.104 -1.091 0.00 0.00 +0.019 A ATOM 6 C LIG 1 3.937 -0.972 -0.767 0.00 0.00 -0.021 A ATOM 7 C LIG 1 3.358 -2.217 -0.417 0.00 0.00 +0.018 A ATOM 8 C LIG 1 1.962 -2.405 -0.366 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.162 -1.311 -0.677 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.328 -1.187 -0.705 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.120 2.679 -1.466 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -1.915 2.089 -1.462 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -1.823 0.768 -1.217 0.00 0.00 +0.131 A ATOM 14 C LIG 1 -2.964 -0.009 -1.046 0.00 0.00 +0.054 A ATOM 15 C LIG 1 -4.221 0.595 -1.071 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -4.293 1.971 -1.270 0.00 0.00 +0.053 A BRANCH 15 17 ATOM 17 C LIG 1 -5.438 -0.202 -0.893 0.00 0.00 +0.079 A ATOM 18 N LIG 1 -6.464 -0.249 -1.817 0.00 0.00 -0.266 N ATOM 19 C LIG 1 -6.515 0.383 -3.118 0.00 0.00 +0.173 C ATOM 20 N LIG 1 -7.508 -1.008 -1.431 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -7.124 -1.497 -0.253 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -5.846 -1.051 0.130 0.00 0.00 +0.064 A BRANCH 22 23 ATOM 23 C LIG 1 -5.036 -1.405 1.419 0.00 0.00 +0.167 A ATOM 24 N LIG 1 -5.403 -2.215 2.465 0.00 0.00 -0.316 N ATOM 25 C LIG 1 -6.639 -2.918 2.666 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -4.345 -2.235 3.324 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -3.380 -1.486 2.852 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -3.820 -0.956 1.665 0.00 0.00 -0.129 NA ENDBRANCH 22 23 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 N LIG 1 -3.112 4.054 -1.713 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -2.112 4.238 -1.847 0.00 0.00 +0.147 HD BRANCH 29 32 ATOM 31 C LIG 1 -4.895 5.582 -1.055 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -3.630 4.865 -0.614 0.00 0.00 +0.099 C ENDBRANCH 29 32 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 1.365 -3.726 0.039 0.00 0.00 +0.418 C ATOM 34 F LIG 1 2.240 -4.766 -0.033 0.00 0.00 -0.166 F ATOM 35 F LIG 1 0.896 -3.714 1.315 0.00 0.00 -0.166 F ATOM 36 F LIG 1 0.306 -4.080 -0.743 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 6 37 ATOM 37 C LIG 1 5.437 -0.809 -0.846 0.00 0.00 +0.195 C BRANCH 37 38 ATOM 38 O LIG 1 6.051 -1.532 0.219 0.00 0.00 -0.373 OA BRANCH 38 39 ATOM 39 C LIG 1 7.480 -1.415 0.221 0.00 0.00 +0.182 C BRANCH 39 40 ATOM 40 C LIG 1 7.924 -0.248 1.096 0.00 0.00 +0.040 C ATOM 41 C LIG 1 9.447 -0.084 1.338 0.00 0.00 +0.024 C ATOM 42 C LIG 1 9.263 1.445 1.249 0.00 0.00 +0.004 C ATOM 43 C LIG 1 7.934 1.189 0.509 0.00 0.00 +0.024 C BRANCH 40 44 ATOM 44 N LIG 1 7.244 -0.200 2.403 0.00 0.00 -0.323 NA ATOM 45 H LIG 1 6.227 -0.221 2.290 0.00 0.00 +0.119 HD ATOM 46 H LIG 1 7.442 -1.013 2.987 0.00 0.00 +0.119 HD ENDBRANCH 40 44 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 11