REMARK Name = BDB010549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.689 0.858 -0.220 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -1.653 0.030 0.316 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.237 0.801 1.309 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -3.209 0.370 2.128 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -3.563 -0.899 1.900 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -3.062 -1.729 0.959 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -1.704 2.052 1.354 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -2.096 -1.273 0.130 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -0.805 2.090 0.400 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.618 -1.450 2.774 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -4.958 -2.746 2.541 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -5.926 -3.002 3.460 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -6.512 -4.060 3.604 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -6.095 -1.849 4.173 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -6.748 -1.718 4.934 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -5.266 -0.865 3.739 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.622 -2.203 -0.885 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -1.950 -2.026 -2.238 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -1.489 -2.925 -3.200 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -1.877 -2.671 -4.857 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -0.713 -4.021 -2.832 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -0.401 -4.225 -1.490 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.859 -3.325 -0.524 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 -0.013 3.145 0.066 0.00 0.00 -0.297 N ATOM 25 C LIG 1 0.261 4.090 1.179 0.00 0.00 +0.136 C ATOM 26 C LIG 1 0.980 5.338 0.645 0.00 0.00 +0.179 C ATOM 27 O LIG 1 0.205 6.080 -0.312 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 -0.800 5.285 -0.958 0.00 0.00 +0.179 C ATOM 29 C LIG 1 -0.346 3.839 -1.206 0.00 0.00 +0.136 C ENDBRANCH 9 24 BRANCH 1 30 ATOM 30 C LIG 1 0.339 0.492 -1.179 0.00 0.00 +0.128 C BRANCH 30 35 ATOM 31 C LIG 1 5.534 -1.753 0.335 0.00 0.00 +0.007 C ATOM 32 C LIG 1 4.392 -0.912 -0.232 0.00 0.00 -0.014 C ATOM 33 C LIG 1 3.556 -0.301 0.898 0.00 0.00 +0.003 C ATOM 34 C LIG 1 2.374 0.504 0.360 0.00 0.00 +0.005 C ATOM 35 C LIG 1 1.490 -0.336 -0.576 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.335 -0.944 -1.706 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.511 -1.753 -1.164 0.00 0.00 +0.003 C ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 5