REMARK Name = BDB010382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.536 -1.762 0.224 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.275 -1.343 0.644 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.389 -2.041 1.640 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.602 -1.493 1.925 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.743 -0.501 1.076 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.097 -3.131 2.256 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.299 -3.481 1.778 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.602 -0.330 0.316 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.021 -2.871 0.819 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.828 0.311 0.954 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.796 0.013 -0.149 0.00 0.00 +0.105 C ATOM 12 C LIG 1 5.121 0.779 0.096 0.00 0.00 +0.139 C ATOM 13 C LIG 1 6.106 0.614 -1.069 0.00 0.00 +0.033 C ATOM 14 C LIG 1 5.926 -0.693 -1.845 0.00 0.00 +0.003 C ATOM 15 C LIG 1 5.418 -1.819 -0.960 0.00 0.00 +0.002 C ATOM 16 O LIG 1 5.781 0.356 1.306 0.00 0.00 -0.373 OA ATOM 17 C LIG 1 4.873 0.041 2.375 0.00 0.00 +0.179 C ATOM 18 C LIG 1 4.049 -1.500 -0.354 0.00 0.00 +0.025 C ATOM 19 C LIG 1 3.489 0.685 2.231 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 7 20 ATOM 20 C LIG 1 -1.896 -4.684 2.400 0.00 0.00 +0.220 A ATOM 21 N LIG 1 -1.210 -5.338 3.352 0.00 0.00 -0.269 N ATOM 22 H LIG 1 -0.299 -5.105 3.714 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 -1.969 -6.371 3.739 0.00 0.00 +0.440 A ATOM 24 O LIG 1 -1.679 -7.194 4.592 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 -3.135 -6.349 3.014 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 -3.046 -5.217 2.140 0.00 0.00 -0.051 NA ENDBRANCH 7 20 BRANCH 1 27 ATOM 27 N LIG 1 -2.271 -1.112 -0.761 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.154 -0.110 -0.726 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 -3.689 -2.710 -1.950 0.00 0.00 +0.028 C ATOM 30 C LIG 1 -3.664 -1.532 -0.975 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 -4.472 -0.319 -1.483 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -4.187 0.274 -2.889 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.477 -0.395 -3.395 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.943 -0.516 -1.933 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 0.363 0.738 -0.636 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.484 1.896 -0.070 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.002 2.767 -1.225 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -1.819 3.954 -0.722 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.023 4.806 0.273 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -1.874 5.961 0.797 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.507 3.945 1.431 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.308 2.751 0.933 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 7