REMARK Name = BDB010360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.520 1.155 -0.281 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.229 1.446 -0.719 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.022 2.484 -1.616 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.293 2.627 -1.935 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.930 1.742 -1.204 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.996 3.263 -2.110 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.194 2.940 -1.626 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -1.041 0.950 -0.500 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.504 1.948 -0.757 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.348 3.748 -2.079 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.567 3.475 -1.586 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.799 2.765 -0.911 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.419 4.339 -2.148 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.621 4.398 -1.940 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.714 5.152 -3.001 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.347 4.727 -2.925 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 1.829 0.139 0.608 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.151 -0.605 0.659 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 3.579 -1.214 -0.440 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.216 -0.312 0.740 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 3.365 -1.015 2.105 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.718 -1.680 2.466 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.074 -3.054 2.211 0.00 0.00 +0.001 C ATOM 24 C LIG 1 2.693 -2.392 2.354 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 -3.284 1.587 -1.140 0.00 0.00 -0.298 N ATOM 26 C LIG 1 -3.994 1.995 -2.357 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 -3.986 1.993 0.107 0.00 0.00 +0.163 C BRANCH 27 28 ATOM 28 C LIG 1 -3.198 2.872 1.066 0.00 0.00 +0.062 A ATOM 29 N LIG 1 -2.798 2.316 2.235 0.00 0.00 -0.239 NA ATOM 30 C LIG 1 -2.085 3.107 3.053 0.00 0.00 +0.221 A ATOM 31 N LIG 1 -1.734 4.378 2.816 0.00 0.00 -0.244 NA ATOM 32 C LIG 1 -2.142 4.885 1.639 0.00 0.00 +0.114 A ATOM 33 C LIG 1 -2.888 4.177 0.725 0.00 0.00 +0.044 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 34 ATOM 34 C LIG 1 -1.385 -0.211 0.302 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.135 -1.552 -0.421 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.118 -1.747 -1.594 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.293 -3.222 -1.934 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.933 -3.991 -0.765 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.588 -5.478 -0.863 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.543 -3.411 0.607 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.179 -2.729 0.575 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9