REMARK Name = BDB010833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.933 -1.546 -0.411 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.565 -1.710 -0.199 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.104 -2.751 -0.819 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.394 -2.833 -0.396 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 -1.560 -1.859 0.481 0.00 0.00 +0.145 A ATOM 6 N LIG 1 0.457 -3.604 -1.687 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.747 -3.339 -1.891 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.428 -1.051 0.505 0.00 0.00 -0.321 N ATOM 9 N LIG 1 2.504 -2.380 -1.305 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.471 -4.197 -2.856 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.768 -3.948 -3.101 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.330 -3.218 -2.698 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.177 -4.854 -3.997 0.00 0.00 +0.440 A ATOM 14 O LIG 1 5.301 -4.942 -4.463 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 3.116 -5.670 -4.304 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.007 -5.200 -3.527 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.700 -0.599 0.252 0.00 0.00 -0.324 N ATOM 18 H LIG 1 2.356 -0.398 1.182 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 4.688 -1.691 1.176 0.00 0.00 +0.028 C ATOM 20 C LIG 1 4.158 -0.670 0.167 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.798 0.696 0.454 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.371 1.529 1.698 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.598 2.790 0.839 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.341 1.911 -0.402 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -2.805 -1.715 1.345 0.00 0.00 +0.124 C ATOM 26 C LIG 1 -3.497 -3.085 1.506 0.00 0.00 +0.050 C BRANCH 25 27 ATOM 27 C LIG 1 -3.772 -0.616 0.821 0.00 0.00 +0.032 C ATOM 28 C LIG 1 -4.214 -0.826 -0.640 0.00 0.00 +0.035 C ATOM 29 C LIG 1 -5.411 0.058 -0.960 0.00 0.00 +0.160 C ATOM 30 O LIG 1 -6.554 -0.224 -0.153 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 -6.285 -0.875 1.086 0.00 0.00 +0.160 C ATOM 32 C LIG 1 -4.999 -0.381 1.733 0.00 0.00 +0.035 C ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 O LIG 1 -2.346 -1.337 2.654 0.00 0.00 -0.381 OA ATOM 34 H LIG 1 -1.915 -2.121 3.040 0.00 0.00 +0.211 HD ENDBRANCH 25 33 ENDBRANCH 5 25 BRANCH 8 35 ATOM 35 C LIG 1 -0.295 0.251 1.140 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 0.053 1.420 0.187 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.291 2.720 0.986 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.924 3.642 0.969 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.309 4.069 -0.460 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.692 5.419 -0.827 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.934 3.010 -1.512 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.995 1.605 -0.926 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9