REMARK Name = BDB021368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.790 0.162 0.107 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.052 -0.920 -0.272 0.00 0.00 +0.151 A ATOM 3 N LIG 1 1.406 -0.652 -0.347 0.00 0.00 -0.270 N ATOM 4 C LIG 1 2.021 -1.800 -0.788 0.00 0.00 +0.134 A ATOM 5 C LIG 1 1.009 -2.724 -0.913 0.00 0.00 +0.159 A ATOM 6 C LIG 1 1.949 0.611 -0.046 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.163 1.601 0.278 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.205 -2.176 -0.585 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.191 1.347 0.352 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.071 -1.124 2.484 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.873 -0.516 1.365 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -2.258 0.076 0.245 0.00 0.00 -0.010 A ATOM 13 C LIG 1 -3.059 0.613 -0.775 0.00 0.00 +0.009 A ATOM 14 C LIG 1 -4.452 0.560 -0.694 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -5.082 -0.037 0.405 0.00 0.00 -0.030 A ATOM 16 C LIG 1 -4.278 -0.568 1.427 0.00 0.00 +0.009 A BRANCH 15 17 ATOM 17 C LIG 1 -6.592 -0.110 0.523 0.00 0.00 +0.084 C ATOM 18 N LIG 1 -7.220 1.220 0.621 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 -6.515 1.947 0.732 0.00 0.00 +0.123 HD ATOM 20 C LIG 1 -8.012 1.427 -0.587 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -8.496 0.037 -0.940 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -7.283 -0.827 -0.643 0.00 0.00 +0.025 C ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 23 ATOM 23 C LIG 1 1.133 -4.085 -1.336 0.00 0.00 +0.121 C ATOM 24 N LIG 1 1.281 -5.185 -1.680 0.00 0.00 -0.189 NA ENDBRANCH 5 23 BRANCH 6 25 ATOM 25 N LIG 1 3.309 0.829 -0.113 0.00 0.00 -0.310 N ATOM 26 H LIG 1 3.446 1.840 -0.067 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 4.174 0.226 0.900 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 5.587 0.700 0.719 0.00 0.00 +0.012 A ATOM 29 C LIG 1 6.327 0.448 -0.433 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.937 -0.227 -1.695 0.00 0.00 +0.080 C ATOM 31 C LIG 1 7.317 -0.379 -2.335 0.00 0.00 +0.234 C ATOM 32 O LIG 1 8.212 0.603 -1.766 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 7.629 0.916 -0.566 0.00 0.00 +0.124 A ATOM 34 C LIG 1 8.256 1.645 0.425 0.00 0.00 +0.049 A ATOM 35 C LIG 1 7.542 1.896 1.595 0.00 0.00 +0.042 A ATOM 36 C LIG 1 6.229 1.425 1.733 0.00 0.00 +0.129 A ATOM 37 F LIG 1 5.576 1.690 2.873 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6