REMARK Name = BDB005882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.275 -1.241 0.615 0.00 0.00 +0.176 A ATOM 2 C LIG 1 -2.221 -0.470 0.082 0.00 0.00 +0.137 A ATOM 3 N LIG 1 -1.902 0.846 0.310 0.00 0.00 -0.210 NA ATOM 4 C LIG 1 -0.862 1.136 -0.433 0.00 0.00 +0.200 A ATOM 5 N LIG 1 -0.364 -0.027 -0.999 0.00 0.00 -0.310 N ATOM 6 C LIG 1 -1.321 -1.021 -0.831 0.00 0.00 +0.100 A ATOM 7 C LIG 1 -1.484 -2.324 -1.310 0.00 0.00 +0.099 A ATOM 8 N LIG 1 -2.478 -3.074 -0.778 0.00 0.00 -0.238 NA ATOM 9 C LIG 1 -3.329 -2.556 0.147 0.00 0.00 +0.154 A ENDROOT BRANCH 4 10 ATOM 10 N LIG 1 -0.349 2.382 -0.596 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -0.061 3.233 0.568 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -0.317 4.700 0.192 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -0.082 5.416 1.512 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -0.635 4.443 2.563 0.00 0.00 +0.004 C ATOM 15 O LIG 1 0.550 5.114 -0.862 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 0.230 4.339 -2.036 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -0.906 3.120 1.826 0.00 0.00 +0.025 C ATOM 18 C LIG 1 0.377 2.816 -1.803 0.00 0.00 +0.136 C ENDBRANCH 4 10 BRANCH 7 19 ATOM 19 C LIG 1 -0.713 -2.952 -2.374 0.00 0.00 +0.022 A ATOM 20 C LIG 1 -0.113 -4.207 -2.200 0.00 0.00 +0.033 A ATOM 21 C LIG 1 0.623 -4.774 -3.236 0.00 0.00 +0.060 A ATOM 22 CL LIG 1 1.382 -6.300 -3.034 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 0.739 -4.074 -4.426 0.00 0.00 +0.130 A ATOM 24 N LIG 1 0.167 -2.867 -4.646 0.00 0.00 -0.261 NA ATOM 25 C LIG 1 -0.561 -2.352 -3.626 0.00 0.00 +0.120 A ENDBRANCH 7 19 BRANCH 9 26 ATOM 26 C LIG 1 -4.350 -3.534 0.615 0.00 0.00 +0.205 A ATOM 27 N LIG 1 -5.307 -3.192 1.490 0.00 0.00 -0.270 N ATOM 28 H LIG 1 -5.455 -2.293 1.919 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -6.056 -4.280 1.708 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -7.021 -4.348 2.452 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -5.552 -5.309 0.955 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -4.427 -4.775 0.249 0.00 0.00 -0.052 NA ENDBRANCH 9 26 BRANCH 1 34 ATOM 33 C LIG 1 -4.119 0.536 1.972 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -4.221 -0.817 1.535 0.00 0.00 -0.491 OA ENDBRANCH 1 34 BRANCH 5 35 ATOM 35 C LIG 1 1.009 -0.248 -1.429 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 2.072 -0.027 -0.334 0.00 0.00 +0.009 C ATOM 37 C LIG 1 3.477 -0.111 -0.953 0.00 0.00 +0.005 C ATOM 38 C LIG 1 4.572 0.060 0.097 0.00 0.00 +0.003 C ATOM 39 C LIG 1 4.428 -0.958 1.235 0.00 0.00 -0.014 C ATOM 40 C LIG 1 5.504 -0.738 2.296 0.00 0.00 +0.007 C ATOM 41 C LIG 1 3.029 -0.879 1.858 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.931 -1.047 0.809 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 6