REMARK Name = BDB019826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.450 -0.190 1.121 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.476 -0.842 0.300 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.833 -0.506 0.366 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.261 0.468 1.277 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.345 1.117 2.121 0.00 0.00 -0.029 A ATOM 6 C LIG 1 0.012 0.777 2.036 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.782 -1.161 -0.510 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -2.817 -1.275 -1.932 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -3.878 -2.012 -2.324 0.00 0.00 -0.166 NA ATOM 10 N LIG 1 -4.513 -2.329 -1.181 0.00 0.00 -0.268 N ATOM 11 C LIG 1 -3.893 -1.839 -0.067 0.00 0.00 +0.117 A BRANCH 8 12 ATOM 12 C LIG 1 -1.845 -0.662 -2.903 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -1.718 0.681 -2.709 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -0.590 -1.179 -2.763 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -2.187 -0.833 -4.207 0.00 0.00 -0.164 F ENDBRANCH 8 12 BRANCH 10 16 ATOM 16 C LIG 1 -5.725 -3.142 -1.236 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -5.521 -4.494 -0.552 0.00 0.00 +0.032 C ATOM 18 C LIG 1 -6.928 -2.397 -0.656 0.00 0.00 +0.032 C ENDBRANCH 10 16 ENDBRANCH 3 7 BRANCH 1 21 ATOM 19 N LIG 1 2.383 -0.989 -0.127 0.00 0.00 -0.304 N ATOM 20 H LIG 1 1.812 -0.912 -0.955 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.903 -0.513 1.074 0.00 0.00 +0.245 C ATOM 22 O LIG 1 2.599 -0.327 2.066 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 3.800 -1.212 -0.330 0.00 0.00 +0.107 C BRANCH 23 30 ATOM 24 C LIG 1 7.332 2.332 0.356 0.00 0.00 +0.047 C ATOM 25 C LIG 1 6.199 1.770 -0.446 0.00 0.00 -0.015 A ATOM 26 C LIG 1 5.808 2.382 -1.637 0.00 0.00 +0.126 A ATOM 27 F LIG 1 6.434 3.491 -2.056 0.00 0.00 -0.205 F ATOM 28 C LIG 1 4.772 1.866 -2.407 0.00 0.00 +0.039 A ATOM 29 C LIG 1 4.113 0.707 -1.994 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.493 0.054 -0.808 0.00 0.00 -0.027 A ATOM 31 C LIG 1 5.540 0.600 -0.043 0.00 0.00 +0.011 A ENDBRANCH 23 30 BRANCH 23 32 ATOM 32 C LIG 1 3.976 -2.329 -1.331 0.00 0.00 +0.014 C ATOM 33 C LIG 1 3.857 -3.766 -0.885 0.00 0.00 +0.006 C ATOM 34 C LIG 1 5.197 -3.217 -1.286 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 5 35 ATOM 35 C LIG 1 -1.819 2.157 3.111 0.00 0.00 +0.144 C BRANCH 35 36 ATOM 36 N LIG 1 -2.468 3.268 2.439 0.00 0.00 -0.278 N ATOM 37 C LIG 1 -3.353 4.095 3.072 0.00 0.00 +0.278 C ATOM 38 N LIG 1 -4.100 3.889 4.085 0.00 0.00 -0.253 NA ATOM 39 H LIG 1 -4.000 2.930 4.407 0.00 0.00 +0.191 HD ATOM 40 O LIG 1 -3.383 5.322 2.482 0.00 0.00 -0.464 OA ATOM 41 C LIG 1 -2.566 5.265 1.309 0.00 0.00 +0.251 C ATOM 42 C LIG 1 -1.667 4.064 1.524 0.00 0.00 +0.151 C ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9