REMARK Name = BDB058099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.968 0.700 1.179 0.00 0.00 +0.048 C ATOM 2 C LIG 1 3.566 0.853 0.651 0.00 0.00 +0.004 C ATOM 3 C LIG 1 2.933 0.036 -0.235 0.00 0.00 -0.000 C ATOM 4 C LIG 1 3.609 -1.165 -0.810 0.00 0.00 +0.025 A ATOM 5 C LIG 1 3.022 -2.449 -0.813 0.00 0.00 +0.131 A ATOM 6 C LIG 1 3.689 -3.516 -1.432 0.00 0.00 +0.084 A ATOM 7 C LIG 1 4.913 -3.316 -2.054 0.00 0.00 +0.127 A ATOM 8 C LIG 1 5.491 -2.058 -2.094 0.00 0.00 +0.039 A ATOM 9 F LIG 1 5.535 -4.347 -2.640 0.00 0.00 -0.205 F ATOM 10 O LIG 1 1.799 -2.820 -0.316 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 1.100 -1.947 0.568 0.00 0.00 +0.265 C ATOM 12 C LIG 1 0.587 -0.711 -0.131 0.00 0.00 -0.002 A ATOM 13 C LIG 1 -0.782 -0.511 -0.355 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -1.246 0.660 -0.979 0.00 0.00 -0.027 A ATOM 15 C LIG 1 -0.307 1.592 -1.450 0.00 0.00 +0.006 A ATOM 16 C LIG 1 1.059 1.392 -1.248 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.834 -0.986 -1.489 0.00 0.00 +0.015 A ATOM 18 C LIG 1 1.504 0.260 -0.559 0.00 0.00 -0.010 A ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 2.901 2.054 1.220 0.00 0.00 +0.179 A ATOM 20 N LIG 1 1.770 1.932 1.911 0.00 0.00 -0.272 N ATOM 21 H LIG 1 1.204 1.115 2.056 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 1.372 3.175 2.216 0.00 0.00 +0.440 A ATOM 23 O LIG 1 0.313 3.480 2.740 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 2.340 4.054 1.802 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 3.331 3.266 1.136 0.00 0.00 -0.055 NA ENDBRANCH 2 19 BRANCH 14 26 ATOM 26 C LIG 1 -2.722 0.927 -1.192 0.00 0.00 +0.158 C BRANCH 26 27 ATOM 27 N LIG 1 -3.539 0.533 -0.055 0.00 0.00 -0.323 N ATOM 28 C LIG 1 -3.508 1.175 1.172 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -4.416 0.476 1.963 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -4.585 0.897 3.285 0.00 0.00 +0.156 A ATOM 31 N LIG 1 -3.896 1.934 3.808 0.00 0.00 -0.241 NA ATOM 32 C LIG 1 -3.023 2.578 3.002 0.00 0.00 +0.114 A ATOM 33 CL LIG 1 -5.677 0.065 4.282 0.00 0.00 -0.060 Cl ATOM 34 N LIG 1 -4.983 -0.546 1.236 0.00 0.00 -0.229 NA ATOM 35 C LIG 1 -2.780 2.260 1.670 0.00 0.00 +0.048 A ATOM 36 C LIG 1 -4.451 -0.496 0.031 0.00 0.00 +0.114 A BRANCH 36 37 ATOM 37 C LIG 1 -4.914 -1.567 -1.011 0.00 0.00 +0.055 C ATOM 38 C LIG 1 -5.206 -1.208 -2.439 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -4.037 -2.099 -2.106 0.00 0.00 +0.012 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 14 26 TORSDOF 4