REMARK Name = BDB000145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.036 2.094 -1.840 0.00 0.00 +0.162 C ATOM 2 N LIG 1 0.597 0.763 -1.735 0.00 0.00 -0.288 N ATOM 3 C LIG 1 1.129 0.314 -0.543 0.00 0.00 +0.237 C ATOM 4 O LIG 1 0.976 0.965 0.497 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 1.000 0.280 -3.046 0.00 0.00 +0.109 C ATOM 6 C LIG 1 0.959 1.506 -3.940 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.172 2.328 -3.353 0.00 0.00 +0.033 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -1.614 1.631 0.013 0.00 0.00 -0.314 N ATOM 9 H LIG 1 -0.753 1.362 0.486 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -1.422 2.301 -1.172 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -2.238 3.115 -1.606 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 -2.764 1.893 0.856 0.00 0.00 +0.107 C BRANCH 12 13 ATOM 13 C LIG 1 -3.184 0.632 1.640 0.00 0.00 +0.006 C BRANCH 13 15 ATOM 14 C LIG 1 -4.989 -0.230 -0.020 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -3.675 -0.494 0.695 0.00 0.00 +0.002 C ENDBRANCH 13 15 BRANCH 13 16 ATOM 16 C LIG 1 -4.205 1.030 2.725 0.00 0.00 +0.002 C ATOM 17 C LIG 1 -4.628 -0.129 3.619 0.00 0.00 +0.004 C ENDBRANCH 13 16 ENDBRANCH 12 13 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.851 -1.061 -0.500 0.00 0.00 +0.162 C BRANCH 18 19 ATOM 19 N LIG 1 3.016 -0.858 0.353 0.00 0.00 -0.302 N ATOM 20 H LIG 1 2.859 -0.630 1.334 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 4.165 -0.282 -0.148 0.00 0.00 +0.230 C ATOM 22 O LIG 1 4.383 -0.119 -1.343 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 5.173 0.097 0.952 0.00 0.00 +0.135 C ATOM 24 C LIG 1 6.080 -1.092 1.254 0.00 0.00 +0.033 C BRANCH 23 25 ATOM 25 N LIG 1 4.444 0.486 2.190 0.00 0.00 -0.320 NA ATOM 26 H LIG 1 3.923 1.347 1.998 0.00 0.00 +0.119 HD ATOM 27 H LIG 1 5.125 0.730 2.911 0.00 0.00 +0.119 HD ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 18 19 BRANCH 18 28 ATOM 28 C LIG 1 0.927 -2.156 0.081 0.00 0.00 +0.012 C ATOM 29 C LIG 1 -0.279 -2.426 -0.829 0.00 0.00 +0.009 C ATOM 30 C LIG 1 1.692 -3.473 0.290 0.00 0.00 +0.009 C ENDBRANCH 18 28 ENDBRANCH 3 18 TORSDOF 10