REMARK Name = BDB005883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.950 0.667 -0.296 0.00 0.00 +0.048 C ATOM 2 C LIG 1 -3.804 -0.274 -0.095 0.00 0.00 +0.006 A ATOM 3 C LIG 1 -2.481 0.181 0.040 0.00 0.00 +0.098 A ATOM 4 N LIG 1 -2.037 1.478 0.020 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -0.742 1.429 0.207 0.00 0.00 +0.200 A ATOM 6 N LIG 1 -0.303 0.121 0.248 0.00 0.00 -0.310 N ATOM 7 C LIG 1 -1.417 -0.702 0.224 0.00 0.00 +0.097 A ATOM 8 C LIG 1 -1.635 -2.078 0.305 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -2.904 -2.533 0.168 0.00 0.00 -0.241 NA ATOM 10 C LIG 1 -3.935 -1.660 -0.025 0.00 0.00 +0.115 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 0.111 2.482 0.278 0.00 0.00 -0.293 N ATOM 12 C LIG 1 0.663 2.884 1.594 0.00 0.00 +0.105 C ATOM 13 C LIG 1 0.201 4.303 1.970 0.00 0.00 +0.139 C ATOM 14 C LIG 1 0.714 4.455 3.393 0.00 0.00 +0.033 C ATOM 15 C LIG 1 0.586 3.053 3.999 0.00 0.00 +0.004 C ATOM 16 O LIG 1 0.712 5.295 1.085 0.00 0.00 -0.373 OA ATOM 17 C LIG 1 0.680 4.846 -0.287 0.00 0.00 +0.179 C ATOM 18 C LIG 1 0.255 2.103 2.838 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -0.275 3.660 -0.548 0.00 0.00 +0.136 C ENDBRANCH 5 11 BRANCH 8 20 ATOM 20 C LIG 1 -0.625 -3.089 0.559 0.00 0.00 +0.022 A ATOM 21 C LIG 1 -0.084 -3.289 1.836 0.00 0.00 +0.033 A ATOM 22 C LIG 1 0.878 -4.274 2.034 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 1.570 -4.516 3.585 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 1.269 -5.045 0.951 0.00 0.00 +0.130 A ATOM 25 N LIG 1 0.761 -4.898 -0.295 0.00 0.00 -0.261 NA ATOM 26 C LIG 1 -0.182 -3.938 -0.456 0.00 0.00 +0.120 A ENDBRANCH 8 20 BRANCH 10 27 ATOM 27 C LIG 1 -5.241 -2.354 -0.147 0.00 0.00 +0.202 A ATOM 28 N LIG 1 -5.263 -3.692 -0.049 0.00 0.00 -0.270 N ATOM 29 H LIG 1 -4.471 -4.294 0.104 0.00 0.00 +0.174 HD ATOM 30 C LIG 1 -6.537 -4.077 -0.189 0.00 0.00 +0.440 A ATOM 31 O LIG 1 -6.951 -5.225 -0.154 0.00 0.00 -0.221 OA ATOM 32 O LIG 1 -7.307 -2.956 -0.377 0.00 0.00 -0.295 OA ATOM 33 N LIG 1 -6.409 -1.839 -0.342 0.00 0.00 -0.053 NA ENDBRANCH 10 27 BRANCH 6 34 ATOM 34 C LIG 1 1.091 -0.291 0.218 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 1.573 -0.740 -1.177 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.911 -1.502 -1.077 0.00 0.00 +0.005 C ATOM 37 C LIG 1 4.112 -0.603 -1.350 0.00 0.00 +0.003 C ATOM 38 C LIG 1 4.069 0.010 -2.762 0.00 0.00 -0.014 C ATOM 39 C LIG 1 4.902 -0.805 -3.752 0.00 0.00 +0.007 C ATOM 40 C LIG 1 2.632 0.174 -3.289 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.657 0.453 -2.152 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 5