REMARK Name = BDB019143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.569 1.496 0.183 0.00 0.00 +0.099 A ATOM 2 C LIG 1 0.953 0.259 0.120 0.00 0.00 +0.086 A ATOM 3 N LIG 1 -0.393 0.524 0.303 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.387 -0.475 0.340 0.00 0.00 +0.202 A ATOM 5 N LIG 1 -1.044 -1.720 0.146 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 0.287 -1.999 -0.083 0.00 0.00 +0.125 A ATOM 7 C LIG 1 -0.522 1.885 0.402 0.00 0.00 +0.207 A ATOM 8 C LIG 1 1.301 -1.107 -0.091 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.638 2.498 0.332 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 7.091 2.700 -0.538 0.00 0.00 +0.065 C ATOM 11 C LIG 1 5.646 2.373 -0.311 0.00 0.00 +0.038 A ATOM 12 N LIG 1 4.740 2.952 -1.133 0.00 0.00 -0.260 NA ATOM 13 C LIG 1 3.433 2.652 -0.923 0.00 0.00 +0.121 A ATOM 14 C LIG 1 2.979 1.779 0.057 0.00 0.00 +0.021 A ATOM 15 C LIG 1 3.930 1.217 0.906 0.00 0.00 +0.013 A ATOM 16 C LIG 1 5.280 1.509 0.718 0.00 0.00 +0.024 A ENDBRANCH 1 14 BRANCH 8 17 ATOM 17 C LIG 1 2.655 -1.616 -0.389 0.00 0.00 +0.007 A ATOM 18 C LIG 1 3.423 -2.353 0.526 0.00 0.00 +0.046 A ATOM 19 C LIG 1 2.917 -2.690 1.900 0.00 0.00 +0.066 C ATOM 20 N LIG 1 4.674 -2.802 0.238 0.00 0.00 -0.260 NA ATOM 21 C LIG 1 5.181 -2.509 -0.979 0.00 0.00 +0.111 A ATOM 22 C LIG 1 4.501 -1.789 -1.942 0.00 0.00 +0.020 A ATOM 23 C LIG 1 3.220 -1.340 -1.641 0.00 0.00 +0.012 A ENDBRANCH 8 17 BRANCH 4 24 ATOM 24 N LIG 1 -2.696 -0.107 0.576 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -2.846 0.744 1.106 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.714 -1.111 0.837 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.069 -0.465 0.806 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -5.656 -0.024 -0.377 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.129 -0.030 -1.763 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.415 0.314 -2.516 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -7.323 0.989 -1.615 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -6.897 0.599 -0.373 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -7.608 0.816 0.790 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.044 0.377 1.988 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -5.792 -0.253 1.987 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.274 -0.644 3.161 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 4 24 TORSDOF 5