REMARK Name = BDB005676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.319 -0.286 0.150 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -0.966 0.930 0.281 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -2.231 0.681 -0.255 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.172 1.703 -0.365 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -2.763 2.942 0.087 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -1.548 3.197 0.631 0.00 0.00 -0.240 NA ATOM 7 N LIG 1 -2.375 -0.631 -0.611 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.631 2.203 0.759 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -1.238 -1.207 -0.314 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -0.904 -2.516 -0.465 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -1.359 -3.457 0.586 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.856 -3.768 0.457 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -3.098 -4.624 1.690 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -2.214 -3.985 2.771 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -3.116 -4.440 -0.773 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -2.763 -3.555 -1.859 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -1.234 -3.047 2.045 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -1.287 -3.091 -1.796 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -3.695 4.078 -0.006 0.00 0.00 +0.268 A ATOM 20 O LIG 1 -3.236 5.268 0.456 0.00 0.00 -0.386 OA ATOM 21 C LIG 1 -4.275 6.119 0.253 0.00 0.00 +0.436 A ATOM 22 O LIG 1 -4.296 7.305 0.527 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 -5.275 5.377 -0.314 0.00 0.00 -0.208 N ATOM 24 H LIG 1 -6.183 5.730 -0.583 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 -4.906 4.080 -0.478 0.00 0.00 -0.128 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 0.603 2.568 1.431 0.00 0.00 +0.022 A ATOM 27 C LIG 1 0.906 2.110 2.721 0.00 0.00 +0.033 A ATOM 28 C LIG 1 2.103 2.485 3.325 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 2.502 1.915 4.893 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 2.965 3.316 2.628 0.00 0.00 +0.130 A ATOM 31 N LIG 1 2.707 3.794 1.388 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 1.526 3.425 0.832 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 1.084 -0.588 0.376 0.00 0.00 +0.128 C BRANCH 33 38 ATOM 34 C LIG 1 5.573 0.343 -2.706 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.340 0.768 -1.908 0.00 0.00 -0.014 C ATOM 36 C LIG 1 4.286 0.067 -0.538 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.373 -1.156 -0.554 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.916 -0.790 -0.909 0.00 0.00 +0.009 C ATOM 39 C LIG 1 1.837 0.433 -1.845 0.00 0.00 +0.005 C ATOM 40 C LIG 1 3.066 0.537 -2.739 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 5