REMARK Name = BDB037746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.406 1.791 0.742 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.297 0.873 0.155 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.927 -0.369 -0.322 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.134 -1.052 -0.629 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.190 -0.273 -0.334 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.501 -0.808 -0.391 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.351 0.489 -0.513 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.674 0.946 -0.018 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.968 1.489 0.608 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.847 2.021 1.295 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.270 -2.425 -1.160 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.534 -2.949 -1.282 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -4.856 -2.553 -0.818 0.00 0.00 +0.181 C ATOM 14 C LIG 1 -5.370 -3.798 -1.572 0.00 0.00 +0.057 C ATOM 15 C LIG 1 -3.922 -4.290 -1.670 0.00 0.00 +0.112 C ATOM 16 O LIG 1 -1.288 -3.084 -1.500 0.00 0.00 -0.268 OA BRANCH 13 17 ATOM 17 C LIG 1 -5.012 -2.598 0.626 0.00 0.00 +0.085 C ATOM 18 N LIG 1 -5.156 -2.651 1.777 0.00 0.00 -0.195 NA ENDBRANCH 13 17 ENDBRANCH 4 11 BRANCH 8 19 ATOM 19 C LIG 1 -3.538 2.072 -0.064 0.00 0.00 +0.067 A ATOM 20 C LIG 1 -3.062 3.325 -0.466 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -3.932 4.415 -0.531 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -5.280 4.255 -0.214 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.766 3.001 0.155 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -4.902 1.907 0.219 0.00 0.00 +0.028 A ENDBRANCH 8 19 BRANCH 7 25 ATOM 25 N LIG 1 2.798 0.270 -0.483 0.00 0.00 -0.299 N ATOM 26 H LIG 1 3.300 0.765 0.249 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 3.468 -0.227 -1.575 0.00 0.00 +0.245 C ATOM 28 O LIG 1 2.899 -0.564 -2.606 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 4.949 -0.315 -1.464 0.00 0.00 +0.037 A ATOM 30 C LIG 1 5.596 -0.471 -0.229 0.00 0.00 +0.025 A ATOM 31 C LIG 1 6.997 -0.560 -0.164 0.00 0.00 +0.056 A ATOM 32 C LIG 1 7.739 -0.509 -1.355 0.00 0.00 +0.012 A ATOM 33 C LIG 1 7.096 -0.367 -2.586 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.706 -0.276 -2.640 0.00 0.00 +0.013 A BRANCH 31 35 ATOM 35 C LIG 1 7.700 -0.754 1.159 0.00 0.00 +0.417 C ATOM 36 F LIG 1 8.860 -0.048 1.250 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.033 -2.055 1.381 0.00 0.00 -0.166 F ATOM 38 F LIG 1 6.946 -0.372 2.227 0.00 0.00 -0.166 F ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 7 25 BRANCH 6 39 ATOM 39 C LIG 1 1.012 -1.700 0.734 0.00 0.00 -0.001 C ATOM 40 C LIG 1 0.131 -2.601 1.571 0.00 0.00 +0.004 C ATOM 41 C LIG 1 0.780 -1.400 2.198 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 -0.333 4.147 1.605 0.00 0.00 +0.025 C ATOM 43 C LIG 1 -0.784 2.707 1.825 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 8