REMARK Name = BDB024675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.766 0.056 0.019 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.574 0.561 0.572 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.720 1.866 1.243 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.920 2.992 0.214 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.576 2.185 2.202 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.251 2.096 1.477 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.114 0.741 0.845 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.825 0.193 0.653 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.393 0.751 0.936 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.305 -0.131 0.583 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.706 -1.276 0.086 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.664 -1.078 0.128 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.759 -1.871 -0.212 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.036 -1.313 -0.038 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.249 -0.007 0.435 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.879 0.486 0.319 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.345 -2.498 -0.398 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.251 -2.277 -1.617 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -2.755 -3.599 -2.210 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.948 -4.708 -1.170 0.00 0.00 +0.115 C ATOM 21 C LIG 1 -3.207 -4.146 0.225 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -2.034 -3.296 0.728 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -1.760 -5.497 -1.134 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 -1.940 -6.272 -0.573 0.00 0.00 +0.210 HD ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.817 -1.356 -1.537 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.604 -0.898 -0.939 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.780 0.116 0.720 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.290 1.111 -0.342 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.115 2.566 0.071 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -2.100 3.339 -0.512 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -1.919 4.673 -0.143 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.748 5.250 0.816 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.753 4.492 1.413 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.935 3.157 1.046 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.738 0.797 -0.672 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.559 0.263 0.058 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.088 1.175 -1.919 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.046 0.980 -1.978 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8