REMARK Name = BDB062273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.006 -0.646 -2.134 0.00 0.00 -0.033 A ATOM 2 C LIG 1 -1.605 0.611 -2.295 0.00 0.00 +0.005 A ATOM 3 C LIG 1 -2.743 0.960 -1.561 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -3.307 0.055 -0.655 0.00 0.00 -0.001 A ATOM 5 C LIG 1 -2.718 -1.203 -0.497 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -1.580 -1.551 -1.231 0.00 0.00 +0.005 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.493 0.418 0.117 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -5.722 -0.212 0.262 0.00 0.00 -0.012 A ATOM 9 C LIG 1 -6.182 -1.458 -0.422 0.00 0.00 +0.056 C ATOM 10 C LIG 1 -7.670 -1.409 -0.752 0.00 0.00 +0.109 C ATOM 11 N LIG 1 -8.518 -1.577 0.413 0.00 0.00 -0.311 N ATOM 12 H LIG 1 -9.257 -2.268 0.357 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -8.707 -0.720 1.466 0.00 0.00 +0.245 C ATOM 14 C LIG 1 -7.811 0.434 1.724 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -8.268 1.424 2.614 0.00 0.00 +0.052 A ATOM 16 C LIG 1 -7.468 2.508 2.939 0.00 0.00 +0.126 A ATOM 17 F LIG 1 -7.933 3.436 3.787 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -6.189 2.658 2.414 0.00 0.00 +0.064 A ATOM 19 C LIG 1 -5.738 1.667 1.536 0.00 0.00 +0.051 A ATOM 20 O LIG 1 -9.660 -0.927 2.215 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 -6.513 0.562 1.172 0.00 0.00 +0.016 A ATOM 22 N LIG 1 -4.531 1.552 0.890 0.00 0.00 -0.354 N ATOM 23 H LIG 1 -3.763 2.201 0.990 0.00 0.00 +0.166 HD ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 0.225 -1.027 -2.933 0.00 0.00 +0.119 C BRANCH 24 28 ATOM 25 C LIG 1 4.001 0.027 -1.352 0.00 0.00 +0.079 C ATOM 26 C LIG 1 3.233 1.105 -2.132 0.00 0.00 +0.038 C ATOM 27 C LIG 1 1.735 0.803 -2.258 0.00 0.00 +0.086 C ATOM 28 N LIG 1 1.522 -0.632 -2.374 0.00 0.00 -0.298 NA ATOM 29 C LIG 1 1.911 -1.374 -1.173 0.00 0.00 +0.086 C ATOM 30 C LIG 1 3.066 -0.720 -0.403 0.00 0.00 +0.038 C BRANCH 25 32 ATOM 31 C LIG 1 6.206 -0.125 -0.244 0.00 0.00 +0.401 C ATOM 32 N LIG 1 5.128 0.609 -0.639 0.00 0.00 -0.278 N ATOM 33 H LIG 1 5.037 1.504 -0.181 0.00 0.00 +0.152 HD ATOM 34 O LIG 1 6.413 -1.289 -0.541 0.00 0.00 -0.226 OA BRANCH 31 35 ATOM 35 O LIG 1 6.987 0.652 0.540 0.00 0.00 -0.445 OA BRANCH 35 37 ATOM 36 C LIG 1 9.215 -0.265 0.021 0.00 0.00 +0.055 C ATOM 37 C LIG 1 8.214 0.128 1.113 0.00 0.00 +0.107 C ATOM 38 C LIG 1 7.929 -1.031 2.074 0.00 0.00 +0.055 C ATOM 39 C LIG 1 8.799 1.300 1.916 0.00 0.00 +0.055 C ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 6