REMARK Name = BDB034797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.873 0.861 -2.902 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -1.316 1.749 -3.122 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -4.147 -3.357 1.073 0.00 0.00 +0.154 C ATOM 4 N LIG 1 -4.255 -2.111 0.373 0.00 0.00 -0.295 N ATOM 5 C LIG 1 -3.241 -1.522 -0.390 0.00 0.00 +0.070 A ATOM 6 C LIG 1 -3.740 -0.339 -0.933 0.00 0.00 +0.072 A ATOM 7 C LIG 1 -2.973 0.457 -1.762 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -1.646 0.068 -2.025 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -1.170 -1.148 -1.481 0.00 0.00 +0.025 A ATOM 10 N LIG 1 -5.065 -0.188 -0.492 0.00 0.00 -0.292 N ATOM 11 C LIG 1 -1.960 -1.952 -0.649 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -5.409 -1.304 0.306 0.00 0.00 +0.330 A ATOM 13 O LIG 1 -6.488 -1.520 0.835 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 -5.971 0.865 -0.868 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -5.660 2.243 -0.277 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -5.854 2.445 1.238 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -4.783 1.752 2.082 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -7.255 2.058 1.712 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -5.704 3.860 1.456 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -5.825 4.031 2.406 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 0.539 0.999 -2.998 0.00 0.00 +0.147 A ATOM 22 C LIG 1 1.068 1.743 -4.043 0.00 0.00 +0.099 A ATOM 23 CL LIG 1 0.103 2.554 -5.212 0.00 0.00 -0.078 Cl ATOM 24 C LIG 1 2.437 1.819 -4.096 0.00 0.00 +0.137 A ATOM 25 N LIG 1 3.252 1.223 -3.204 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 2.682 0.519 -2.214 0.00 0.00 +0.220 A ATOM 27 N LIG 1 1.347 0.389 -2.104 0.00 0.00 -0.198 NA BRANCH 26 28 ATOM 28 N LIG 1 3.490 -0.075 -1.254 0.00 0.00 -0.300 N ATOM 29 C LIG 1 4.917 -0.140 -1.519 0.00 0.00 +0.108 C ATOM 30 C LIG 1 5.697 -0.257 -0.203 0.00 0.00 +0.024 C ATOM 31 C LIG 1 4.973 -1.067 0.892 0.00 0.00 +0.013 C ATOM 32 C LIG 1 3.913 -1.979 0.269 0.00 0.00 +0.024 C ATOM 33 C LIG 1 2.872 -1.163 -0.502 0.00 0.00 +0.108 C BRANCH 31 34 ATOM 34 C LIG 1 5.951 -1.881 1.752 0.00 0.00 +0.147 C BRANCH 34 35 ATOM 35 N LIG 1 6.851 -1.056 2.538 0.00 0.00 -0.271 N ATOM 36 N LIG 1 6.397 -0.442 3.646 0.00 0.00 -0.180 NA ATOM 37 C LIG 1 7.468 0.206 4.109 0.00 0.00 +0.134 A ATOM 38 C LIG 1 8.607 -0.003 3.311 0.00 0.00 +0.041 A ATOM 39 C LIG 1 8.178 -0.833 2.302 0.00 0.00 +0.108 A ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 1 21 TORSDOF 9