REMARK Name = BDB038984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.657 -1.887 0.780 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.813 -0.939 0.229 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.389 -1.079 0.492 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.501 -0.202 -0.356 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.022 0.715 -1.310 0.00 0.00 -0.025 A ATOM 6 C LIG 1 2.140 1.479 -2.104 0.00 0.00 +0.064 A ATOM 7 C LIG 1 0.746 1.407 -1.925 0.00 0.00 +0.043 A ATOM 8 C LIG 1 0.255 0.521 -0.959 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -1.022 0.192 -0.528 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.892 -0.761 0.468 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.380 -1.046 0.668 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.524 0.822 -1.456 0.00 0.00 +0.055 C ATOM 13 C LIG 1 1.100 -0.270 -0.195 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.269 0.372 -0.203 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.270 -2.905 1.342 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -2.009 -1.411 1.244 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.999 -2.942 1.039 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -1.292 -3.676 2.174 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.953 -3.408 3.527 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -2.612 -2.031 3.625 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.921 -1.011 2.731 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.873 -2.529 1.179 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.972 -1.568 0.629 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.246 0.792 -1.068 0.00 0.00 +0.090 C ATOM 25 C LIG 1 -3.121 -0.232 -1.800 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.994 1.632 -0.014 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.980 2.603 -0.621 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -3.532 3.806 -1.186 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -4.439 4.696 -1.763 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.799 4.394 -1.780 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.255 3.202 -1.220 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.350 2.310 -0.643 0.00 0.00 +0.004 A ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 BRANCH 6 33 ATOM 33 C LIG 1 2.585 2.420 -3.163 0.00 0.00 +0.337 C ATOM 34 O LIG 1 2.051 3.479 -3.437 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 3.611 1.944 -3.887 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 3.751 2.623 -4.580 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 6 33 TORSDOF 7