REMARK Name = BDB010792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.739 -1.282 0.362 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.359 -1.419 0.521 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.274 -2.554 0.037 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.607 -2.537 0.305 0.00 0.00 -0.213 NA ATOM 5 C LIG 1 -1.847 -1.387 0.899 0.00 0.00 +0.113 A ATOM 6 N LIG 1 0.343 -3.548 -0.617 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.644 -3.315 -0.777 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.674 -0.657 1.033 0.00 0.00 -0.323 N ATOM 9 N LIG 1 2.361 -2.255 -0.335 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.428 -4.329 -1.518 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.741 -4.120 -1.711 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.278 -3.326 -1.406 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.207 -5.169 -2.399 0.00 0.00 +0.440 A ATOM 14 O LIG 1 5.362 -5.331 -2.760 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 3.166 -6.034 -2.630 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.007 -5.439 -2.031 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.470 -0.215 0.874 0.00 0.00 -0.324 N ATOM 18 H LIG 1 2.186 0.010 1.821 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 4.576 -1.124 1.762 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.927 -0.220 0.711 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.443 1.211 0.898 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.044 2.243 -0.195 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.442 2.866 -0.018 0.00 0.00 +0.001 C ATOM 24 C LIG 1 5.916 1.487 0.481 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -3.209 -0.936 1.342 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 -4.098 -0.514 0.163 0.00 0.00 +0.043 C BRANCH 26 27 ATOM 27 C LIG 1 -5.038 -1.600 -0.302 0.00 0.00 -0.047 A ATOM 28 C LIG 1 -4.592 -2.612 -1.161 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -5.461 -3.620 -1.581 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.785 -3.627 -1.149 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.241 -2.626 -0.293 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.372 -1.619 0.130 0.00 0.00 +0.003 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.584 0.690 1.569 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 -1.036 1.797 0.597 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.156 1.892 -0.654 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -0.684 2.934 -1.645 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.247 4.208 -0.989 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.775 4.256 -1.077 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -0.763 4.356 0.455 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.090 3.149 1.336 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 9