REMARK Name = BDB061361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.170 0.387 0.143 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.870 0.506 0.450 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -0.367 1.733 0.616 0.00 0.00 +0.219 A ATOM 4 N LIG 1 -1.074 2.855 0.501 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -2.378 2.746 0.220 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -2.968 1.510 0.036 0.00 0.00 +0.087 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -3.100 -3.605 -1.119 0.00 0.00 -0.300 NA ATOM 8 C LIG 1 -2.522 -3.361 0.226 0.00 0.00 +0.103 C ATOM 9 C LIG 1 -1.813 -1.990 0.338 0.00 0.00 +0.122 C ATOM 10 N LIG 1 -2.741 -0.894 -0.027 0.00 0.00 -0.313 N ATOM 11 C LIG 1 -3.315 -1.099 -1.374 0.00 0.00 +0.122 C ATOM 12 C LIG 1 -4.003 -2.482 -1.459 0.00 0.00 +0.103 C BRANCH 7 14 ATOM 13 C LIG 1 -2.915 -6.094 -1.084 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -3.831 -4.879 -1.183 0.00 0.00 +0.081 C ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 15 ATOM 15 N LIG 1 0.978 1.912 0.923 0.00 0.00 -0.309 N ATOM 16 H LIG 1 1.139 2.893 0.704 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 1.875 0.972 0.269 0.00 0.00 +0.092 C ATOM 18 C LIG 1 1.951 -0.400 0.955 0.00 0.00 +0.130 C ATOM 19 N LIG 1 3.304 -0.875 0.697 0.00 0.00 -0.296 N ATOM 20 C LIG 1 3.701 -2.130 1.115 0.00 0.00 +0.247 C ATOM 21 O LIG 1 2.966 -2.902 1.723 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 4.139 0.195 0.175 0.00 0.00 +0.110 C ATOM 23 C LIG 1 3.323 1.460 0.396 0.00 0.00 +0.043 C BRANCH 20 24 ATOM 24 C LIG 1 5.088 -2.559 0.829 0.00 0.00 +0.037 A ATOM 25 C LIG 1 5.574 -2.593 -0.482 0.00 0.00 +0.013 A ATOM 26 C LIG 1 6.882 -3.018 -0.723 0.00 0.00 +0.001 A ATOM 27 C LIG 1 7.693 -3.418 0.341 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.197 -3.406 1.646 0.00 0.00 +0.001 A ATOM 29 C LIG 1 5.891 -2.983 1.892 0.00 0.00 +0.013 A ENDBRANCH 20 24 ENDBRANCH 15 17 ENDBRANCH 3 15 BRANCH 5 30 ATOM 30 N LIG 1 -3.198 3.893 0.091 0.00 0.00 -0.283 N ATOM 31 H LIG 1 -4.054 3.762 0.613 0.00 0.00 +0.155 HD BRANCH 30 32 ATOM 32 C LIG 1 -2.801 5.167 -0.138 0.00 0.00 +0.146 A ATOM 33 N LIG 1 -1.698 5.578 -0.767 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 -1.773 6.914 -0.748 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -1.010 7.439 -1.161 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 -2.912 7.393 -0.166 0.00 0.00 +0.035 A ATOM 37 C LIG 1 -3.202 8.838 -0.058 0.00 0.00 +0.065 C ATOM 38 C LIG 1 -3.606 6.274 0.235 0.00 0.00 +0.068 A ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7