REMARK Name = BDB028540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.858 0.347 1.372 0.00 0.00 -0.253 OA ATOM 2 C LIG 1 0.873 -0.710 1.997 0.00 0.00 +0.302 C ATOM 3 N LIG 1 -0.234 -1.530 2.121 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -1.443 -1.175 1.372 0.00 0.00 +0.128 C ATOM 5 C LIG 1 -2.241 -2.429 0.949 0.00 0.00 +0.074 C ATOM 6 C LIG 1 -2.671 -3.237 2.196 0.00 0.00 +0.022 C ATOM 7 C LIG 1 -1.724 -3.058 3.387 0.00 0.00 +0.021 C ATOM 8 C LIG 1 -0.299 -2.720 2.971 0.00 0.00 +0.109 C ATOM 9 N LIG 1 2.002 -1.165 2.629 0.00 0.00 -0.297 N ATOM 10 H LIG 1 2.106 -2.170 2.631 0.00 0.00 +0.150 HD ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -3.362 -2.224 0.009 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 -4.476 -1.409 0.528 0.00 0.00 +0.100 C ATOM 13 C LIG 1 -5.407 -0.886 -0.589 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -4.743 -0.011 -1.575 0.00 0.00 -0.296 NA ATOM 15 C LIG 1 -3.295 -0.293 -1.650 0.00 0.00 +0.100 C ATOM 16 C LIG 1 -2.931 -1.762 -1.329 0.00 0.00 +0.100 C BRANCH 14 17 ATOM 17 C LIG 1 -4.967 1.421 -1.316 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 C LIG 1 -6.403 1.860 -1.530 0.00 0.00 -0.033 A ATOM 19 C LIG 1 -7.095 2.552 -0.523 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -8.412 2.969 -0.725 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -9.049 2.704 -1.936 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -8.370 2.026 -2.948 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -7.053 1.608 -2.747 0.00 0.00 +0.005 A ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 5 11 BRANCH 9 24 ATOM 24 C LIG 1 3.266 -0.466 2.447 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 C LIG 1 3.918 -0.851 1.113 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 4.259 -2.251 1.157 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 5.004 -2.339 0.525 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 5.197 -0.029 0.850 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 5.976 -0.562 -0.296 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 7.282 0.122 -0.407 0.00 0.00 +0.120 C ATOM 31 C LIG 1 7.230 1.511 -1.010 0.00 0.00 -0.030 A ATOM 32 C LIG 1 6.158 1.906 -1.832 0.00 0.00 -0.042 A ATOM 33 C LIG 1 6.155 3.184 -2.408 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.219 4.058 -2.190 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.291 3.664 -1.392 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.986 0.982 -2.047 0.00 0.00 +0.051 C ATOM 37 C LIG 1 8.299 2.396 -0.808 0.00 0.00 +0.005 A ATOM 38 C LIG 1 5.281 -0.456 -1.594 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8