REMARK Name = BDB034526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.698 0.737 0.389 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.725 1.042 -0.518 0.00 0.00 +0.051 A ATOM 3 C LIG 1 2.891 0.297 -0.483 0.00 0.00 -0.015 A ATOM 4 C LIG 1 4.129 0.419 -1.304 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.934 -0.703 -0.838 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.359 -1.332 0.257 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.826 -2.204 0.962 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.035 -0.728 0.445 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.052 -1.046 1.360 0.00 0.00 +0.017 A ATOM 10 C LIG 1 0.869 -0.298 1.327 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.334 -0.843 -1.225 0.00 0.00 +0.163 C ATOM 12 C LIG 1 7.256 -0.075 -0.265 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.922 0.955 0.319 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.550 -0.535 -0.175 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.164 -0.009 0.431 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.134 -1.555 -0.884 0.00 0.00 +0.219 C ATOM 17 O LIG 1 10.339 -1.772 -0.803 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.239 -2.324 -1.828 0.00 0.00 +0.098 C ATOM 19 C LIG 1 6.792 -2.295 -1.363 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 O LIG 1 -0.403 1.538 0.263 0.00 0.00 -0.487 OA BRANCH 20 22 ATOM 21 C LIG 1 -2.812 1.716 0.112 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -1.606 1.220 0.989 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -1.571 1.916 2.356 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -1.483 3.439 2.238 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -2.292 4.005 1.073 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -3.395 3.052 0.628 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 -4.513 -1.195 0.148 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -4.446 0.073 1.034 0.00 0.00 +0.091 C ATOM 29 N LIG 1 -3.957 0.814 -0.137 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -3.575 -0.436 -0.812 0.00 0.00 +0.091 C BRANCH 27 31 ATOM 31 C LIG 1 -5.959 -1.494 -0.344 0.00 0.00 +0.063 C ATOM 32 C LIG 1 -6.604 -0.456 -1.308 0.00 0.00 +0.022 C ATOM 33 C LIG 1 -7.051 -1.636 -2.197 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -5.926 -2.474 -1.558 0.00 0.00 +0.022 C BRANCH 31 36 ATOM 35 N LIG 1 -7.509 -2.285 1.613 0.00 0.00 -0.196 NA ATOM 36 C LIG 1 -6.830 -1.934 0.740 0.00 0.00 +0.070 C ENDBRANCH 31 36 ENDBRANCH 27 31 ENDBRANCH 21 29 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6