REMARK Name = BDB026200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.308 1.457 -0.083 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.561 0.508 -0.829 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.175 0.640 -0.969 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.493 1.725 -0.393 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -1.245 2.660 0.328 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.635 3.700 0.918 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.625 2.535 0.485 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.160 1.908 3.188 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.970 0.980 2.265 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -7.200 1.580 1.691 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.949 2.417 2.614 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -7.039 2.074 0.300 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -7.968 3.223 -0.116 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -5.572 2.438 -0.065 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -4.695 1.260 0.080 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -5.044 0.338 1.191 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 0.962 1.867 -0.544 0.00 0.00 +0.021 A ATOM 18 C LIG 1 1.525 2.990 -1.167 0.00 0.00 +0.134 A ATOM 19 F LIG 1 0.735 3.957 -1.659 0.00 0.00 -0.205 F ATOM 20 C LIG 1 2.901 3.132 -1.310 0.00 0.00 +0.078 A ATOM 21 C LIG 1 3.744 2.139 -0.825 0.00 0.00 +0.138 A ATOM 22 F LIG 1 5.066 2.312 -0.979 0.00 0.00 -0.205 F ATOM 23 C LIG 1 3.233 1.000 -0.199 0.00 0.00 +0.073 A ATOM 24 C LIG 1 1.837 0.874 -0.067 0.00 0.00 +0.027 A BRANCH 23 25 ATOM 25 C LIG 1 4.095 -0.091 0.345 0.00 0.00 +0.247 C ATOM 26 N LIG 1 5.454 0.010 0.131 0.00 0.00 -0.306 N ATOM 27 H LIG 1 5.787 0.845 -0.340 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 3.567 -1.015 0.952 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 6.495 -0.945 0.605 0.00 0.00 +0.030 C ATOM 30 C LIG 1 6.205 -2.342 0.043 0.00 0.00 +0.031 C ATOM 31 C LIG 1 6.461 -0.978 2.145 0.00 0.00 +0.031 C BRANCH 29 32 ATOM 32 C LIG 1 7.860 -0.369 0.090 0.00 0.00 +0.031 C BRANCH 32 33 ATOM 33 C LIG 1 9.205 -1.163 0.084 0.00 0.00 -0.036 C ATOM 34 C LIG 1 10.332 -0.134 -0.187 0.00 0.00 +0.010 C ATOM 35 C LIG 1 9.262 -2.194 -1.060 0.00 0.00 +0.010 C ATOM 36 C LIG 1 9.527 -1.857 1.411 0.00 0.00 +0.010 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 26 29 ENDBRANCH 23 25 ENDBRANCH 4 17 BRANCH 2 37 ATOM 37 N LIG 1 -3.310 -0.529 -1.426 0.00 0.00 -0.280 N ATOM 38 H LIG 1 -4.307 -0.432 -1.248 0.00 0.00 +0.155 HD ATOM 39 C LIG 1 -2.862 -1.556 -2.217 0.00 0.00 +0.250 C ATOM 40 O LIG 1 -1.718 -1.788 -2.581 0.00 0.00 -0.270 OA BRANCH 39 41 ATOM 41 C LIG 1 -3.974 -2.435 -2.672 0.00 0.00 +0.065 A ATOM 42 C LIG 1 -4.561 -3.478 -1.840 0.00 0.00 +0.073 A ATOM 43 C LIG 1 -5.566 -4.226 -2.337 0.00 0.00 +0.083 A ATOM 44 C LIG 1 -6.072 -3.995 -3.714 0.00 0.00 +0.249 A ATOM 45 O LIG 1 -6.991 -4.661 -4.170 0.00 0.00 -0.268 OA ATOM 46 N LIG 1 -5.445 -2.999 -4.420 0.00 0.00 -0.328 N ATOM 47 H LIG 1 -5.779 -2.853 -5.367 0.00 0.00 +0.168 HD ATOM 48 C LIG 1 -4.417 -2.236 -3.923 0.00 0.00 +0.099 A BRANCH 42 49 ATOM 49 C LIG 1 -4.008 -3.695 -0.466 0.00 0.00 +0.418 C ATOM 50 F LIG 1 -4.584 -4.757 0.157 0.00 0.00 -0.166 F ATOM 51 F LIG 1 -2.675 -3.927 -0.469 0.00 0.00 -0.166 F ATOM 52 F LIG 1 -4.231 -2.622 0.336 0.00 0.00 -0.166 F ENDBRANCH 42 49 ENDBRANCH 39 41 ENDBRANCH 2 37 TORSDOF 9