REMARK Name = BDB040273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.471 -0.672 1.143 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.450 -1.857 1.919 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.254 -2.549 2.186 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.081 -2.022 1.655 0.00 0.00 -0.006 A ATOM 5 C LIG 1 1.322 -2.526 1.753 0.00 0.00 +0.150 C ATOM 6 N LIG 1 2.092 -1.552 0.989 0.00 0.00 -0.263 N ATOM 7 C LIG 1 1.266 -0.549 0.470 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.521 0.425 -0.213 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.105 -0.857 0.898 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -1.270 -0.163 0.629 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 3.500 -1.662 0.823 0.00 0.00 +0.037 A ATOM 12 C LIG 1 4.236 -0.717 0.089 0.00 0.00 +0.028 A ATOM 13 C LIG 1 5.636 -0.800 -0.104 0.00 0.00 -0.032 A ATOM 14 C LIG 1 6.286 -1.890 0.500 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.585 -2.843 1.236 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.204 -2.729 1.393 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.445 0.315 -0.955 0.00 0.00 +0.080 C ATOM 18 C LIG 1 5.760 0.836 -2.253 0.00 0.00 +0.177 C ATOM 19 O LIG 1 6.988 0.648 -3.007 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 7.491 -0.222 -1.966 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 7.004 1.371 0.013 0.00 0.00 +0.248 C ATOM 22 F LIG 1 7.981 0.758 0.755 0.00 0.00 -0.236 F BRANCH 21 23 ATOM 23 C LIG 1 7.519 2.646 -0.568 0.00 0.00 +0.168 A ATOM 24 N LIG 1 8.836 3.020 -0.666 0.00 0.00 -0.318 N ATOM 25 C LIG 1 10.003 2.307 -0.222 0.00 0.00 +0.151 C ATOM 26 C LIG 1 8.838 4.257 -1.234 0.00 0.00 +0.224 A ATOM 27 N LIG 1 7.604 4.645 -1.448 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 6.775 3.641 -1.016 0.00 0.00 -0.132 NA ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -1.239 -3.816 2.997 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.444 -4.152 3.529 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.371 -3.744 4.045 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.836 -4.890 2.263 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -3.782 0.054 0.880 0.00 0.00 +0.120 C BRANCH 33 35 ATOM 34 C LIG 1 -6.162 -0.205 0.274 0.00 0.00 +0.074 C ATOM 35 N LIG 1 -4.803 -0.819 0.266 0.00 0.00 -0.293 NA ATOM 36 C LIG 1 -4.459 -1.131 -1.147 0.00 0.00 +0.100 C ATOM 37 C LIG 1 -4.985 -0.143 -2.223 0.00 0.00 +0.100 C ATOM 38 N LIG 1 -5.293 1.186 -1.686 0.00 0.00 -0.297 NA ATOM 39 C LIG 1 -6.244 1.116 -0.565 0.00 0.00 +0.103 C BRANCH 34 41 ATOM 40 C LIG 1 -8.232 0.462 1.629 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -6.785 -0.044 1.696 0.00 0.00 +0.001 C ATOM 42 C LIG 1 -6.763 -1.365 2.476 0.00 0.00 +0.009 C ENDBRANCH 34 41 BRANCH 38 43 ATOM 43 C LIG 1 -5.516 2.202 -2.723 0.00 0.00 +0.057 C ATOM 44 C LIG 1 -6.433 3.380 -2.549 0.00 0.00 +0.020 C ATOM 45 C LIG 1 -6.803 2.273 -3.496 0.00 0.00 +0.020 C ENDBRANCH 38 43 ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 9