REMARK Name = BDB009528 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.554 -0.811 1.249 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.473 -0.519 0.429 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.681 -0.876 1.097 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.221 -1.413 2.286 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.009 -1.932 3.240 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.308 -1.883 2.891 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.847 -1.383 1.760 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.047 -0.842 0.825 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.135 -1.366 2.372 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 5.675 -0.325 0.247 0.00 0.00 +0.126 A ATOM 11 C LIG 1 4.827 0.793 0.195 0.00 0.00 -0.008 A ATOM 12 C LIG 1 5.331 2.144 -0.226 0.00 0.00 +0.047 C ATOM 13 C LIG 1 3.471 0.629 0.519 0.00 0.00 +0.018 A ATOM 14 C LIG 1 2.968 -0.617 0.913 0.00 0.00 +0.018 A ATOM 15 C LIG 1 3.851 -1.699 1.028 0.00 0.00 +0.018 A ATOM 16 C LIG 1 5.212 -1.564 0.715 0.00 0.00 -0.008 A ATOM 17 C LIG 1 6.123 -2.749 0.855 0.00 0.00 +0.047 C BRANCH 10 19 ATOM 18 C LIG 1 7.208 -0.467 -1.461 0.00 0.00 +0.277 C ATOM 19 O LIG 1 7.001 -0.177 -0.078 0.00 0.00 -0.495 OA ENDBRANCH 10 19 ENDBRANCH 1 14 BRANCH 6 20 ATOM 20 C LIG 1 -3.248 -2.456 3.918 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -4.463 -2.506 3.831 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -2.561 -2.925 4.998 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -1.593 -2.784 4.870 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.566 -0.291 -0.334 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.080 0.559 -0.597 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.015 -0.175 -0.566 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.686 0.754 0.441 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.710 -1.529 -0.755 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.386 -2.318 0.407 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.447 -2.773 -0.614 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.122 -1.496 -1.413 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.550 -0.086 -0.962 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.233 1.378 -1.191 0.00 0.00 -0.028 A ATOM 34 C LIG 1 0.055 1.807 -2.517 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.239 3.142 -2.808 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.366 4.084 -1.780 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.175 3.664 -0.457 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.120 2.328 -0.166 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.659 5.532 -2.094 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -1.336 6.167 -1.098 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.413 5.690 -3.217 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.476 6.255 -2.298 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10