REMARK Name = BDB020566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.598 2.718 -1.581 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.789 2.012 -0.243 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.692 1.099 0.035 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -1.606 1.468 0.785 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.808 0.348 0.820 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -1.382 -0.673 0.104 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -1.505 2.839 1.317 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -2.838 3.300 1.682 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -2.913 4.388 2.642 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.530 -0.207 -0.353 0.00 0.00 +0.115 A ATOM 11 C LIG 1 -3.941 3.055 0.868 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -5.006 3.664 0.996 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.478 0.223 1.480 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.662 -0.074 0.747 0.00 0.00 +0.011 A ATOM 15 C LIG 1 2.887 -0.183 1.434 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.048 -0.448 0.814 0.00 0.00 -0.245 NA ATOM 17 C LIG 1 4.068 -0.625 -0.537 0.00 0.00 +0.092 A ATOM 18 C LIG 1 2.915 -0.552 -1.305 0.00 0.00 +0.078 A ATOM 19 C LIG 1 2.905 -0.008 2.811 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.747 0.268 3.536 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.711 -0.270 -0.651 0.00 0.00 +0.031 A ATOM 22 C LIG 1 0.533 0.382 2.871 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.396 -0.889 -1.075 0.00 0.00 +0.039 A ATOM 24 C LIG 1 6.393 -1.543 -0.375 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.484 -1.577 -1.190 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.771 -2.157 -0.897 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.281 -0.978 -2.377 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.015 -0.557 -2.304 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 2.891 -0.771 -2.716 0.00 0.00 +0.101 C ATOM 30 N LIG 1 2.849 -0.927 -3.865 0.00 0.00 -0.191 NA ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 31 ATOM 31 C LIG 1 -3.524 -0.993 -1.165 0.00 0.00 +0.060 C ATOM 32 C LIG 1 -2.818 -1.927 -2.163 0.00 0.00 +0.039 C ATOM 33 C LIG 1 -2.707 -3.333 -1.593 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -3.988 -3.918 -1.350 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -5.006 -3.008 -0.937 0.00 0.00 +0.160 C ATOM 36 C LIG 1 -4.459 -1.778 -0.231 0.00 0.00 +0.039 C ENDBRANCH 10 31 TORSDOF 4