REMARK Name = BDB038956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.894 0.153 0.783 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.762 0.713 0.217 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.465 0.045 0.319 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.354 0.688 -0.472 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.564 1.853 -1.246 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.515 2.424 -1.979 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.227 1.882 -1.954 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.023 0.736 -1.173 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.088 -0.052 -0.910 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.316 -1.074 -0.066 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.598 -0.956 0.221 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.946 2.451 -1.325 0.00 0.00 +0.054 C ATOM 13 C LIG 1 2.052 0.145 -0.451 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.757 2.140 -0.071 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.964 0.740 0.905 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.554 -2.166 0.505 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.785 -1.939 2.016 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.147 -2.783 2.881 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.033 -4.280 2.620 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.441 -4.608 1.182 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.053 -3.553 0.199 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.835 -1.748 1.782 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.691 -1.130 1.194 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.426 0.211 -1.456 0.00 0.00 +0.086 C ATOM 25 C LIG 1 -1.868 -0.876 -2.438 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.456 0.549 -0.353 0.00 0.00 +0.029 C BRANCH 26 27 ATOM 27 C LIG 1 -3.850 1.006 -0.849 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.876 1.090 0.316 0.00 0.00 +0.101 C ATOM 29 C LIG 1 -6.249 1.564 -0.181 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -6.166 2.867 -0.974 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -5.182 2.758 -2.132 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -3.796 2.306 -1.675 0.00 0.00 +0.004 C BRANCH 28 33 ATOM 33 C LIG 1 -4.436 1.963 1.490 0.00 0.00 +0.308 C ATOM 34 O LIG 1 -3.657 2.900 1.420 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.025 1.607 2.658 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -5.646 0.856 2.585 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7