REMARK Name = BDB008270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.232 -1.042 -0.741 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.175 -1.779 -0.348 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.990 -1.164 -0.078 0.00 0.00 +0.128 A ATOM 4 C LIG 1 1.153 0.204 -0.227 0.00 0.00 +0.052 A ATOM 5 C LIG 1 0.072 0.970 -0.670 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.142 0.324 -0.929 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 0.217 2.420 -0.901 0.00 0.00 -0.006 A ATOM 8 C LIG 1 0.073 3.349 0.180 0.00 0.00 +0.008 A ATOM 9 C LIG 1 0.219 4.734 -0.056 0.00 0.00 +0.072 A ATOM 10 N LIG 1 0.113 5.664 0.912 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -0.142 5.251 2.173 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -0.316 3.930 2.522 0.00 0.00 +0.020 A ATOM 13 C LIG 1 0.486 5.168 -1.343 0.00 0.00 +0.028 A ATOM 14 C LIG 1 0.631 4.278 -2.408 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -0.212 2.974 1.514 0.00 0.00 +0.012 A ATOM 16 C LIG 1 0.504 2.902 -2.202 0.00 0.00 -0.042 A ATOM 17 C LIG 1 0.696 1.974 -3.374 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -3.671 -1.533 -1.223 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.341 -1.805 -1.091 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.105 -2.780 -1.239 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -4.367 -2.344 -1.851 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.322 -0.332 -0.486 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -5.755 -0.085 -0.978 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -4.925 -1.726 1.459 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.246 -0.515 0.989 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.680 0.293 1.438 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 2.099 -1.894 0.344 0.00 0.00 -0.265 N ATOM 28 H LIG 1 2.987 -1.418 0.478 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.141 -3.244 0.608 0.00 0.00 +0.269 C ATOM 30 O LIG 1 1.218 -4.048 0.559 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.504 -3.659 0.999 0.00 0.00 +0.147 A ATOM 32 N LIG 1 4.539 -2.787 1.007 0.00 0.00 -0.167 NA ATOM 33 N LIG 1 5.592 -3.536 1.392 0.00 0.00 -0.274 N ATOM 34 C LIG 1 6.900 -2.932 1.490 0.00 0.00 +0.172 C ATOM 35 C LIG 1 5.273 -4.837 1.644 0.00 0.00 +0.109 A ATOM 36 C LIG 1 3.925 -4.952 1.400 0.00 0.00 +0.054 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6