REMARK Name = BDB010684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.451 -1.236 1.254 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.221 -0.969 0.656 0.00 0.00 -0.317 N ATOM 3 C LIG 1 -0.738 -0.974 1.646 0.00 0.00 +0.151 A ATOM 4 C LIG 1 -0.043 -1.238 2.807 0.00 0.00 +0.186 A ATOM 5 N LIG 1 -0.607 -1.327 4.021 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.935 -1.131 3.994 0.00 0.00 +0.244 A ATOM 7 N LIG 1 -2.703 -0.865 2.912 0.00 0.00 -0.185 NA ATOM 8 C LIG 1 -2.104 -0.780 1.713 0.00 0.00 +0.245 A ATOM 9 N LIG 1 1.284 -1.393 2.562 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.160 -1.677 0.717 0.00 0.00 -0.041 A ATOM 11 C LIG 1 3.913 -1.586 1.349 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.767 -1.337 0.594 0.00 0.00 +0.106 A ATOM 13 N LIG 1 2.809 -1.178 -0.748 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.017 -1.267 -1.345 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.201 -1.511 -0.668 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 7.403 -0.787 1.441 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.408 -1.946 1.536 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.069 -3.266 1.133 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -2.673 -1.208 5.305 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -3.872 -1.052 5.474 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -1.874 -1.479 6.362 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -2.483 -1.497 7.127 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 2 23 ATOM 23 C LIG 1 -0.042 -0.768 -0.760 0.00 0.00 +0.127 C BRANCH 23 24 ATOM 24 C LIG 1 0.269 0.654 -1.267 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -0.732 1.694 -0.739 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -0.454 3.088 -1.299 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -0.442 3.090 -2.832 0.00 0.00 -0.014 C ATOM 28 C LIG 1 -0.115 4.483 -3.367 0.00 0.00 +0.007 C ATOM 29 C LIG 1 0.556 2.056 -3.366 0.00 0.00 +0.003 C ATOM 30 C LIG 1 0.279 0.663 -2.804 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 2 23 BRANCH 8 31 ATOM 31 O LIG 1 -2.834 -0.496 0.584 0.00 0.00 -0.472 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.229 -0.225 0.783 0.00 0.00 +0.175 C ATOM 33 C LIG 1 -4.412 1.240 1.173 0.00 0.00 +0.052 C BRANCH 32 34 ATOM 34 C LIG 1 -4.919 -0.576 -0.541 0.00 0.00 +0.029 C ATOM 35 C LIG 1 -6.420 -0.243 -0.770 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -6.076 -0.086 -2.268 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -4.633 0.247 -1.830 0.00 0.00 +0.007 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 9