REMARK Name = BDB039159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.080 -1.431 0.291 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.856 -1.748 -0.271 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.775 -0.782 -0.103 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.409 -1.294 -0.483 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.218 -2.587 -1.023 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.934 -3.047 -1.347 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.805 -2.240 -1.179 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -1.009 -0.953 -0.666 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.154 0.099 -0.381 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.908 1.135 0.143 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -2.185 0.794 0.163 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.404 -3.504 -1.196 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.268 -0.482 -0.321 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.707 -2.722 -1.343 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -7.267 -0.476 1.036 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.450 2.461 0.701 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.152 2.361 2.209 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.799 3.452 2.709 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.593 4.766 1.964 0.00 0.00 +0.000 C ATOM 20 C LIG 1 0.826 4.624 0.457 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.662 3.186 -0.051 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -9.341 -2.008 0.495 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -8.064 -2.300 -0.072 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.273 0.051 -0.641 0.00 0.00 +0.128 C BRANCH 24 25 ATOM 25 C LIG 1 2.093 -0.296 0.600 0.00 0.00 +0.057 C BRANCH 25 26 ATOM 26 C LIG 1 3.558 -0.455 0.272 0.00 0.00 -0.045 A ATOM 27 C LIG 1 4.389 0.668 0.177 0.00 0.00 +0.022 A ATOM 28 C LIG 1 5.754 0.544 -0.145 0.00 0.00 +0.101 A ATOM 29 C LIG 1 6.297 -0.735 -0.376 0.00 0.00 +0.134 A ATOM 30 C LIG 1 5.460 -1.856 -0.283 0.00 0.00 +0.047 A ATOM 31 C LIG 1 4.105 -1.716 0.035 0.00 0.00 +0.007 A BRANCH 28 32 ATOM 32 C LIG 1 6.526 1.825 -0.219 0.00 0.00 +0.340 C ATOM 33 O LIG 1 5.993 2.913 -0.059 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 7.845 1.711 -0.471 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 8.131 0.781 -0.586 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 28 32 BRANCH 29 36 ATOM 36 O LIG 1 7.634 -0.807 -0.683 0.00 0.00 -0.494 OA ATOM 37 C LIG 1 8.189 -2.097 -0.930 0.00 0.00 +0.277 C ENDBRANCH 29 36 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8