REMARK Name = BDB035142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.260 -1.190 2.425 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 1.228 -1.904 3.196 0.00 0.00 +0.100 C ATOM 3 C LIG 1 -0.223 -1.729 2.676 0.00 0.00 +0.100 C ATOM 4 N LIG 1 -0.484 -0.469 1.934 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 0.390 0.593 2.464 0.00 0.00 +0.100 C ATOM 6 C LIG 1 1.906 0.248 2.395 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.927 -0.113 1.942 0.00 0.00 +0.101 C ATOM 8 C LIG 1 -2.230 1.301 1.359 0.00 0.00 +0.166 C ATOM 9 N LIG 1 -3.669 1.584 1.165 0.00 0.00 -0.267 NA ATOM 10 C LIG 1 -4.380 0.586 0.779 0.00 0.00 +0.120 C ATOM 11 C LIG 1 -3.901 -0.791 0.569 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -2.739 -1.117 1.152 0.00 0.00 -0.003 C BRANCH 10 13 ATOM 13 N LIG 1 -5.698 0.888 0.557 0.00 0.00 -0.270 N ATOM 14 H LIG 1 -5.870 1.870 0.722 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 -6.786 0.096 0.192 0.00 0.00 +0.223 C ATOM 16 O LIG 1 -6.756 -1.123 0.069 0.00 0.00 -0.275 OA BRANCH 15 17 ATOM 17 C LIG 1 -8.050 0.923 -0.005 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -9.286 0.084 -0.344 0.00 0.00 +0.097 C ATOM 19 N LIG 1 -9.763 0.518 -1.670 0.00 0.00 -0.305 NA ATOM 20 C LIG 1 -9.259 -0.370 -2.720 0.00 0.00 +0.104 C ATOM 21 C LIG 1 -9.269 1.888 -1.835 0.00 0.00 +0.085 C ATOM 22 C LIG 1 -7.910 1.909 -1.162 0.00 0.00 +0.029 C ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 2.374 -1.741 1.060 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 7.952 0.273 -1.619 0.00 0.00 +0.077 C ATOM 25 C LIG 1 7.122 1.293 -0.839 0.00 0.00 +0.217 C ATOM 26 O LIG 1 7.301 2.505 -0.854 0.00 0.00 -0.275 OA ATOM 27 N LIG 1 6.144 0.744 -0.052 0.00 0.00 -0.307 N ATOM 28 H LIG 1 5.627 1.391 0.528 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 6.039 -0.683 0.125 0.00 0.00 +0.121 C ATOM 30 C LIG 1 6.074 -1.439 -1.229 0.00 0.00 +0.130 C ATOM 31 N LIG 1 4.754 -1.622 -1.866 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 3.723 -1.635 -1.098 0.00 0.00 +0.110 C ATOM 33 C LIG 1 3.683 -1.442 0.373 0.00 0.00 -0.018 C ATOM 34 C LIG 1 4.808 -0.956 0.922 0.00 0.00 +0.003 C ATOM 35 C LIG 1 6.984 -0.734 -2.260 0.00 0.00 +0.041 C BRANCH 24 37 ATOM 36 C LIG 1 10.073 1.598 -2.108 0.00 0.00 +0.004 C ATOM 37 C LIG 1 8.832 0.933 -2.692 0.00 0.00 +0.009 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6