REMARK Name = BDB058605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.367 1.260 0.421 0.00 0.00 +0.089 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.099 1.376 0.404 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 -0.738 0.890 1.633 0.00 0.00 +0.085 C ATOM 4 C LIG 1 -2.161 0.360 1.425 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -2.937 1.228 0.424 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -2.172 1.371 -0.908 0.00 0.00 +0.023 C ATOM 7 C LIG 1 -0.722 0.885 -0.820 0.00 0.00 +0.085 C BRANCH 5 8 ATOM 8 C LIG 1 -4.357 0.724 0.224 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -4.614 -0.545 -0.315 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.928 -0.995 -0.492 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -7.026 -0.194 -0.136 0.00 0.00 -0.016 A ATOM 12 C LIG 1 -6.761 1.074 0.405 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -5.447 1.527 0.583 0.00 0.00 +0.004 A BRANCH 11 14 ATOM 14 C LIG 1 -8.406 -0.668 -0.327 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -9.369 0.101 -0.987 0.00 0.00 +0.119 A ATOM 16 N LIG 1 -10.656 -0.277 -1.198 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 -11.012 -1.492 -0.729 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -10.145 -2.341 -0.061 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -8.830 -1.921 0.140 0.00 0.00 +0.011 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 1.940 -0.158 0.231 0.00 0.00 +0.053 C BRANCH 20 24 ATOM 21 N LIG 1 5.621 -0.229 -0.116 0.00 0.00 -0.220 N ATOM 22 N LIG 1 5.523 -0.274 1.239 0.00 0.00 -0.173 NA ATOM 23 C LIG 1 4.217 -0.255 1.496 0.00 0.00 +0.138 A ATOM 24 C LIG 1 3.428 -0.187 0.333 0.00 0.00 -0.008 A ATOM 25 C LIG 1 4.355 -0.163 -0.684 0.00 0.00 +0.120 A BRANCH 21 30 ATOM 26 O LIG 1 11.572 -0.504 -1.167 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 10.558 -0.440 -0.483 0.00 0.00 +0.259 A ATOM 28 C LIG 1 9.212 -0.380 -1.085 0.00 0.00 +0.070 A ATOM 29 C LIG 1 8.103 -0.323 -0.226 0.00 0.00 +0.122 A ATOM 30 C LIG 1 6.851 -0.265 -0.858 0.00 0.00 +0.180 A ATOM 31 N LIG 1 6.710 -0.247 -2.228 0.00 0.00 -0.234 NA ATOM 32 C LIG 1 7.817 -0.300 -2.993 0.00 0.00 +0.114 A ATOM 33 N LIG 1 8.289 -0.315 1.173 0.00 0.00 -0.233 NA ATOM 34 C LIG 1 9.482 -0.358 1.651 0.00 0.00 +0.200 A ATOM 35 C LIG 1 9.086 -0.372 -2.473 0.00 0.00 +0.035 A ATOM 36 N LIG 1 10.605 -0.416 0.884 0.00 0.00 -0.313 N ATOM 37 H LIG 1 11.522 -0.448 1.307 0.00 0.00 +0.170 HD ENDBRANCH 21 30 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 6