REMARK Name = BDB010335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.677 -0.417 0.404 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.632 0.447 0.718 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.715 1.254 1.842 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.379 2.052 1.977 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.145 1.773 0.948 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.750 1.258 2.696 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.696 0.377 2.341 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.617 0.731 0.207 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.709 -0.439 1.271 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.872 0.323 3.237 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.904 1.111 4.325 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.197 1.764 4.623 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.064 0.869 4.948 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.452 1.400 5.976 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.752 -0.081 4.232 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.928 -0.414 3.107 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.690 -1.227 -0.719 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.200 -0.851 -1.518 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.451 -3.320 -1.631 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.905 -1.974 -1.054 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -3.739 -1.227 -2.110 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -4.427 0.111 -1.709 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -5.689 -0.702 -1.371 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -5.177 -1.775 -2.351 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 2.343 2.346 0.640 0.00 0.00 -0.304 N ATOM 26 C LIG 1 3.117 2.800 1.800 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 2.347 3.287 -0.494 0.00 0.00 +0.111 C BRANCH 27 28 ATOM 28 C LIG 1 1.708 4.605 -0.156 0.00 0.00 +0.006 C ATOM 29 C LIG 1 1.909 5.793 -1.066 0.00 0.00 +0.005 C ATOM 30 C LIG 1 2.535 5.782 0.300 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 31 ATOM 31 C LIG 1 1.306 0.003 -0.844 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.728 -1.431 -0.458 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.873 -1.457 0.577 0.00 0.00 +0.005 C ATOM 34 C LIG 1 4.245 -1.571 -0.081 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.385 -2.860 -0.911 0.00 0.00 -0.014 C ATOM 36 C LIG 1 5.088 -3.963 -0.118 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.034 -3.369 -1.442 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.086 -2.214 -1.737 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 9