REMARK Name = BDB005802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.653 0.100 -0.167 0.00 0.00 -0.307 N ATOM 2 C LIG 1 -0.714 1.463 0.098 0.00 0.00 +0.097 A ATOM 3 C LIG 1 -1.464 1.521 1.277 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -1.636 2.716 1.975 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -1.043 3.829 1.417 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -0.376 3.802 0.243 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -1.991 0.306 1.599 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.221 2.648 -0.462 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -1.600 -0.511 0.655 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -1.959 -1.819 0.522 0.00 0.00 -0.288 N ATOM 11 C LIG 1 -2.745 -2.178 -0.678 0.00 0.00 +0.091 C ATOM 12 C LIG 1 -4.176 -1.633 -0.631 0.00 0.00 +0.029 C ATOM 13 C LIG 1 -2.721 -3.710 -0.824 0.00 0.00 +0.129 C ATOM 14 N LIG 1 -3.155 -4.424 0.372 0.00 0.00 -0.301 N ATOM 15 C LIG 1 -3.433 -5.841 0.227 0.00 0.00 +0.132 C ATOM 16 C LIG 1 -2.794 -3.950 1.635 0.00 0.00 +0.233 C ATOM 17 O LIG 1 -2.827 -4.673 2.636 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -2.450 -2.456 1.770 0.00 0.00 +0.204 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -1.125 5.162 2.064 0.00 0.00 +0.201 A ATOM 20 N LIG 1 -1.821 5.358 3.197 0.00 0.00 -0.270 N ATOM 21 H LIG 1 -2.363 4.723 3.755 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -1.695 6.657 3.510 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -2.198 7.203 4.478 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -0.911 7.261 2.564 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -0.557 6.240 1.628 0.00 0.00 -0.053 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 0.334 2.831 -1.790 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -0.444 2.641 -2.942 0.00 0.00 +0.033 A ATOM 28 C LIG 1 0.110 2.871 -4.198 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 -0.819 2.612 -5.617 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 1.425 3.298 -4.274 0.00 0.00 +0.130 A ATOM 31 N LIG 1 2.205 3.517 -3.190 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 1.632 3.305 -1.979 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 1 34 ATOM 33 C LIG 1 0.613 -0.390 -2.315 0.00 0.00 +0.031 C ATOM 34 C LIG 1 0.399 -0.686 -0.835 0.00 0.00 +0.091 C BRANCH 34 35 ATOM 35 C LIG 1 1.694 -0.829 0.027 0.00 0.00 +0.012 C ATOM 36 C LIG 1 2.594 0.416 0.060 0.00 0.00 +0.006 C ATOM 37 C LIG 1 3.832 0.204 0.933 0.00 0.00 +0.003 C ATOM 38 C LIG 1 4.640 -1.020 0.491 0.00 0.00 -0.014 C ATOM 39 C LIG 1 5.839 -1.238 1.411 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.750 -2.267 0.455 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.519 -2.052 -0.424 0.00 0.00 +0.006 C ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 5