REMARK Name = BDB019959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.161 -0.863 -0.523 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.219 0.297 0.260 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.442 0.935 0.530 0.00 0.00 -0.032 A ATOM 4 C LIG 1 -2.608 0.364 -0.013 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -2.583 -0.826 -0.761 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -1.343 -1.426 -1.018 0.00 0.00 +0.018 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 2.240 -0.738 -0.887 0.00 0.00 -0.304 N ATOM 8 H LIG 1 2.144 0.265 -0.848 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 1.127 -1.543 -0.832 0.00 0.00 +0.245 C ATOM 10 O LIG 1 1.142 -2.748 -1.050 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 3.555 -1.255 -1.203 0.00 0.00 +0.107 C BRANCH 11 18 ATOM 12 C LIG 1 6.390 2.669 0.373 0.00 0.00 +0.047 C ATOM 13 C LIG 1 5.905 1.260 0.527 0.00 0.00 -0.015 A ATOM 14 C LIG 1 6.380 0.470 1.576 0.00 0.00 +0.126 A ATOM 15 F LIG 1 7.256 0.981 2.452 0.00 0.00 -0.205 F ATOM 16 C LIG 1 5.958 -0.845 1.736 0.00 0.00 +0.039 A ATOM 17 C LIG 1 5.051 -1.395 0.831 0.00 0.00 +0.008 A ATOM 18 C LIG 1 4.567 -0.636 -0.248 0.00 0.00 -0.027 A ATOM 19 C LIG 1 4.999 0.698 -0.383 0.00 0.00 +0.011 A ENDBRANCH 11 18 BRANCH 11 20 ATOM 20 C LIG 1 3.952 -1.006 -2.644 0.00 0.00 +0.014 C ATOM 21 C LIG 1 3.363 0.088 -3.511 0.00 0.00 +0.006 C ATOM 22 C LIG 1 3.024 -1.351 -3.788 0.00 0.00 +0.006 C ENDBRANCH 11 20 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 23 ATOM 23 C LIG 1 -1.503 2.205 1.375 0.00 0.00 +0.091 C ATOM 24 C LIG 1 -2.432 2.210 2.587 0.00 0.00 +0.021 C ATOM 25 C LIG 1 -0.950 2.135 2.796 0.00 0.00 +0.021 C BRANCH 23 26 ATOM 26 C LIG 1 -1.327 3.490 0.594 0.00 0.00 +0.399 C ATOM 27 F LIG 1 -2.298 3.633 -0.339 0.00 0.00 -0.170 F ATOM 28 F LIG 1 -1.372 4.580 1.399 0.00 0.00 -0.170 F ATOM 29 F LIG 1 -0.130 3.507 -0.043 0.00 0.00 -0.170 F ENDBRANCH 23 26 ENDBRANCH 3 23 BRANCH 5 30 ATOM 30 C LIG 1 -3.842 -1.442 -1.338 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -5.016 -1.221 -0.516 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -5.248 -1.801 0.739 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -4.484 -2.541 1.456 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -3.588 -2.664 0.983 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -6.544 -1.394 1.066 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -7.229 -1.838 2.254 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -7.083 -0.642 0.036 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -6.156 -0.535 -0.926 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8