REMARK Name = BDB026940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.227 -0.441 0.781 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.309 -1.747 -0.001 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.293 -3.005 0.622 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.381 -4.176 -0.135 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.504 -4.108 -1.521 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.549 -2.868 -2.153 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.461 -1.697 -1.399 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.474 -0.581 2.127 0.00 0.00 +0.186 C ATOM 9 O LIG 1 1.115 -0.775 3.169 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -4.454 -0.207 -0.279 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -4.463 -0.180 1.123 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -3.240 -0.281 1.806 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.004 -0.400 1.160 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -0.993 -0.469 2.184 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -1.667 -0.412 3.395 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -2.022 -0.434 -0.251 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -3.004 -0.297 3.158 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -3.721 -0.238 3.869 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -3.237 -0.339 -0.950 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 -9.068 0.974 -1.689 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -7.735 0.425 -1.639 0.00 0.00 -0.274 N ATOM 22 N LIG 1 -7.293 -0.329 -2.661 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -6.051 -0.655 -2.292 0.00 0.00 +0.142 A ATOM 24 C LIG 1 -5.693 -0.116 -1.033 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -6.817 0.583 -0.642 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.614 0.050 1.011 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.994 -0.497 1.790 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 2.652 1.475 1.356 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.075 1.948 1.714 0.00 0.00 +0.051 C BRANCH 29 30 ATOM 30 C LIG 1 5.131 2.014 0.623 0.00 0.00 -0.028 A ATOM 31 C LIG 1 6.420 2.507 0.915 0.00 0.00 +0.045 A ATOM 32 CL LIG 1 6.848 3.053 2.500 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 7.411 2.577 -0.071 0.00 0.00 +0.039 A ATOM 34 C LIG 1 7.135 2.152 -1.371 0.00 0.00 +0.053 A ATOM 35 C LIG 1 5.867 1.659 -1.679 0.00 0.00 +0.019 A ATOM 36 C LIG 1 4.878 1.592 -0.692 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 8.148 2.222 -2.382 0.00 0.00 +0.099 C ATOM 38 N LIG 1 8.967 2.281 -3.202 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9