REMARK Name = BDB060933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.348 -0.722 0.206 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -0.817 -0.027 -0.123 0.00 0.00 +0.127 A ATOM 3 N LIG 1 -1.827 -0.986 0.032 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.238 -2.124 0.564 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -2.076 -3.233 0.872 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -3.405 -3.192 0.624 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -3.981 -1.979 0.030 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.195 -0.925 -0.246 0.00 0.00 +0.095 A ATOM 9 N LIG 1 0.060 -1.990 0.670 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.256 -4.301 0.929 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.051 -4.992 0.044 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -5.320 -4.905 -1.404 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -5.710 -5.976 0.715 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -5.352 -5.950 2.049 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -4.478 -4.943 2.175 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -3.894 -4.632 3.502 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -1.117 1.232 -0.580 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -2.031 1.374 -1.001 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -0.544 2.508 -0.094 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -0.090 2.452 1.366 0.00 0.00 +0.031 C ATOM 21 C LIG 1 0.645 2.870 -1.010 0.00 0.00 +0.031 C BRANCH 19 22 ATOM 22 C LIG 1 -1.599 3.658 -0.319 0.00 0.00 +0.031 C BRANCH 22 23 ATOM 23 C LIG 1 -2.853 3.862 0.592 0.00 0.00 -0.036 C ATOM 24 C LIG 1 -2.494 4.473 1.960 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -3.664 2.582 0.807 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -3.771 4.884 -0.125 0.00 0.00 +0.010 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 27 ATOM 27 C LIG 1 1.795 -0.388 0.064 0.00 0.00 +0.063 C BRANCH 27 28 ATOM 28 C LIG 1 2.303 -0.684 -1.351 0.00 0.00 +0.041 C BRANCH 28 32 ATOM 29 C LIG 1 6.516 0.221 -1.753 0.00 0.00 +0.121 A ATOM 30 C LIG 1 5.549 1.113 -2.224 0.00 0.00 +0.046 A ATOM 31 C LIG 1 4.188 0.824 -2.103 0.00 0.00 +0.007 A ATOM 32 C LIG 1 3.771 -0.369 -1.504 0.00 0.00 -0.047 A ATOM 33 C LIG 1 4.741 -1.258 -1.025 0.00 0.00 +0.007 A ATOM 34 C LIG 1 6.104 -0.965 -1.148 0.00 0.00 +0.046 A BRANCH 29 35 ATOM 35 O LIG 1 7.805 0.637 -1.934 0.00 0.00 -0.492 OA BRANCH 35 37 ATOM 36 C LIG 1 9.295 -0.102 -0.170 0.00 0.00 +0.048 C ATOM 37 C LIG 1 8.868 -0.260 -1.619 0.00 0.00 +0.225 C ENDBRANCH 35 37 ENDBRANCH 29 35 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 10