REMARK Name = BDB031819 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.428 2.330 -1.360 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.067 2.434 -0.003 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.028 1.695 0.458 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.799 0.881 -0.361 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.777 0.297 0.505 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.639 0.751 1.754 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.474 0.810 -1.729 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.583 1.571 1.700 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.284 2.020 2.559 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.629 1.538 -2.203 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.449 -0.289 0.970 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.886 0.440 -0.084 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.403 1.694 -0.387 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.044 2.735 -1.412 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.642 3.063 -1.887 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.044 3.843 -1.174 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.855 3.441 -0.127 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.612 4.007 0.224 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.103 4.885 -1.802 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.624 2.361 -2.804 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.494 2.180 0.351 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.088 1.478 1.377 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.549 0.227 1.683 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.756 -1.957 0.916 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.027 -1.524 1.390 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.713 -0.567 0.046 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -2.698 -0.817 -0.935 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.442 -1.548 0.766 0.00 0.00 +0.170 A ATOM 29 C LIG 1 -4.530 -2.142 0.127 0.00 0.00 +0.179 A ATOM 30 C LIG 1 -5.204 -3.107 0.847 0.00 0.00 +0.162 A ATOM 31 N LIG 1 -4.900 -3.442 2.116 0.00 0.00 -0.237 NA ATOM 32 C LIG 1 -3.861 -2.788 2.666 0.00 0.00 +0.128 A ATOM 33 C LIG 1 -3.468 -3.152 4.063 0.00 0.00 +0.088 C ATOM 34 N LIG 1 -3.115 -1.869 2.033 0.00 0.00 -0.214 NA BRANCH 29 35 ATOM 35 O LIG 1 -4.806 -1.807 -1.171 0.00 0.00 -0.478 OA BRANCH 35 36 ATOM 36 C LIG 1 -6.198 -1.541 -1.436 0.00 0.00 +0.342 C BRANCH 36 37 ATOM 37 C LIG 1 -6.776 -2.522 -2.446 0.00 0.00 +0.424 C ATOM 38 F LIG 1 -6.748 -3.790 -1.976 0.00 0.00 -0.167 F ATOM 39 F LIG 1 -8.068 -2.220 -2.717 0.00 0.00 -0.167 F ATOM 40 F LIG 1 -6.095 -2.494 -3.612 0.00 0.00 -0.167 F ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7