REMARK Name = BDB034951 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.594 -0.626 -2.868 0.00 0.00 +0.264 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.184 -1.936 -1.190 0.00 0.00 -0.033 A ATOM 3 C LIG 1 1.142 -1.229 -2.398 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.078 -0.805 -2.931 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.281 -1.070 -2.262 0.00 0.00 -0.010 A ATOM 6 C LIG 1 -1.240 -1.796 -1.065 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -0.021 -2.221 -0.533 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 2.505 -2.411 -0.617 0.00 0.00 +0.119 C BRANCH 8 12 ATOM 9 C LIG 1 5.442 -0.724 0.960 0.00 0.00 +0.017 C ATOM 10 C LIG 1 5.243 -2.244 0.854 0.00 0.00 +0.021 C ATOM 11 C LIG 1 3.869 -2.662 1.385 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.744 -1.952 0.761 0.00 0.00 -0.298 NA ATOM 13 C LIG 1 2.922 -0.498 0.876 0.00 0.00 +0.085 C ATOM 14 C LIG 1 4.256 0.013 0.327 0.00 0.00 +0.021 C BRANCH 9 15 ATOM 15 C LIG 1 6.762 -0.281 0.321 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 O LIG 1 7.845 -0.914 1.001 0.00 0.00 -0.377 OA BRANCH 16 17 ATOM 17 C LIG 1 9.121 -0.559 0.468 0.00 0.00 +0.188 C BRANCH 17 18 ATOM 18 C LIG 1 9.646 0.746 1.063 0.00 0.00 +0.187 C BRANCH 18 20 ATOM 19 C LIG 1 11.483 2.220 1.063 0.00 0.00 +0.194 C ATOM 20 O LIG 1 10.928 1.035 0.507 0.00 0.00 -0.381 OA ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 8 12 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 O LIG 1 -3.600 -0.334 -1.892 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -3.637 0.920 -1.358 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -4.768 1.230 -0.623 0.00 0.00 +0.024 A ATOM 24 C LIG 1 -5.974 0.396 -0.347 0.00 0.00 +0.148 C ATOM 25 N LIG 1 -6.764 1.254 0.529 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -6.202 2.515 0.666 0.00 0.00 +0.248 C ATOM 27 O LIG 1 -6.662 3.481 1.243 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 -4.911 2.482 -0.029 0.00 0.00 +0.045 A ATOM 29 C LIG 1 -3.954 3.471 -0.129 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -2.802 3.167 -0.854 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.644 1.902 -1.460 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 32 C LIG 1 -8.152 0.985 0.879 0.00 0.00 +0.163 C ATOM 33 C LIG 1 -9.094 1.119 -0.331 0.00 0.00 +0.240 C ATOM 34 O LIG 1 -8.779 1.622 -1.407 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 -10.364 0.624 -0.143 0.00 0.00 -0.255 N ATOM 36 H LIG 1 -10.973 0.702 -0.948 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 -10.726 -0.345 0.758 0.00 0.00 +0.219 C ATOM 38 O LIG 1 -11.770 -0.977 0.623 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 -9.791 -0.568 1.923 0.00 0.00 +0.098 C ATOM 40 C LIG 1 -8.339 -0.395 1.502 0.00 0.00 +0.041 C ENDBRANCH 25 32 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11