REMARK Name = BDB010548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.428 2.034 0.805 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.446 0.645 0.841 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.160 0.010 1.846 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -2.111 -1.344 1.720 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.372 -1.574 0.661 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -2.829 0.648 2.819 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 -2.736 1.980 2.731 0.00 0.00 +0.220 A ATOM 8 N LIG 1 -0.894 -0.393 0.121 0.00 0.00 -0.308 N ATOM 9 N LIG 1 -2.080 2.693 1.790 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -1.262 3.832 -3.867 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -0.670 3.722 -2.493 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -1.302 2.948 -1.509 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -0.778 2.853 -0.208 0.00 0.00 +0.003 A ATOM 14 C LIG 1 0.369 3.598 0.104 0.00 0.00 +0.010 A ATOM 15 C LIG 1 0.997 4.383 -0.864 0.00 0.00 +0.001 A ATOM 16 C LIG 1 0.479 4.444 -2.157 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 5 17 ATOM 17 N LIG 1 -1.065 -2.791 0.120 0.00 0.00 -0.294 N ATOM 18 C LIG 1 -0.981 -3.921 1.109 0.00 0.00 +0.099 C ATOM 19 C LIG 1 0.080 -3.666 2.183 0.00 0.00 +0.030 C ATOM 20 C LIG 1 -0.611 -5.231 0.368 0.00 0.00 +0.182 C ATOM 21 O LIG 1 -1.534 -5.541 -0.686 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 -1.564 -4.473 -1.640 0.00 0.00 +0.179 C ATOM 23 C LIG 1 -2.003 -3.162 -0.980 0.00 0.00 +0.136 C ENDBRANCH 5 17 BRANCH 7 24 ATOM 24 C LIG 1 -3.428 2.764 3.775 0.00 0.00 +0.287 A ATOM 25 O LIG 1 -4.096 2.043 4.714 0.00 0.00 -0.385 OA ATOM 26 C LIG 1 -4.629 2.986 5.534 0.00 0.00 +0.436 A ATOM 27 O LIG 1 -5.313 2.775 6.519 0.00 0.00 -0.221 OA ATOM 28 N LIG 1 -4.244 4.197 5.031 0.00 0.00 -0.208 N ATOM 29 H LIG 1 -4.485 5.098 5.421 0.00 0.00 +0.195 HD ATOM 30 N LIG 1 -3.482 4.057 3.915 0.00 0.00 -0.127 NA ENDBRANCH 7 24 BRANCH 8 31 ATOM 31 C LIG 1 0.056 -0.290 -0.974 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.491 0.059 -0.530 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.345 0.511 -1.733 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.180 -0.626 -2.311 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.163 -1.208 -1.278 0.00 0.00 -0.014 C ATOM 36 C LIG 1 5.555 -0.591 -1.422 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.660 -1.049 0.167 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.139 -1.113 0.233 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 5