REMARK Name = BDB032165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.157 2.502 -0.665 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -3.918 1.503 -0.084 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -5.331 1.113 -0.352 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.564 0.054 0.623 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.400 -0.297 1.290 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.216 -1.221 2.058 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.369 0.662 0.880 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.061 0.767 1.309 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -1.273 1.779 0.744 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -1.826 2.633 -0.244 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -6.763 -0.773 0.569 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.558 -1.992 -0.346 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.811 -1.992 -1.323 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.359 -3.081 -0.086 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.246 -3.869 -0.708 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.345 -3.197 0.862 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.064 -4.191 0.907 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.552 -2.011 1.775 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.268 -1.214 1.942 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -3.015 4.269 -2.244 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -3.790 3.263 -1.602 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 0.172 1.925 1.150 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 0.929 0.979 0.391 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 2.270 1.071 0.581 0.00 0.00 +0.405 C ATOM 25 N LIG 1 2.873 0.117 -0.185 0.00 0.00 -0.250 N ATOM 26 H LIG 1 2.227 -0.454 -0.714 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 2.803 1.883 1.320 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 4.248 -0.141 -0.307 0.00 0.00 +0.055 A ATOM 29 C LIG 1 5.254 0.557 0.348 0.00 0.00 +0.134 A ATOM 30 N LIG 1 6.580 0.291 0.212 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 6.955 -0.713 -0.622 0.00 0.00 +0.074 A ATOM 32 C LIG 1 6.004 -1.467 -1.306 0.00 0.00 +0.030 A ATOM 33 C LIG 1 4.646 -1.177 -1.149 0.00 0.00 +0.027 A BRANCH 31 34 ATOM 34 C LIG 1 8.410 -0.947 -0.720 0.00 0.00 +0.036 A ATOM 35 C LIG 1 9.027 -1.440 -1.880 0.00 0.00 +0.133 A ATOM 36 F LIG 1 8.304 -1.704 -2.980 0.00 0.00 -0.205 F ATOM 37 C LIG 1 10.404 -1.658 -1.952 0.00 0.00 +0.039 A ATOM 38 C LIG 1 11.211 -1.382 -0.853 0.00 0.00 +0.003 A ATOM 39 C LIG 1 10.636 -0.883 0.311 0.00 0.00 +0.001 A ATOM 40 C LIG 1 9.255 -0.667 0.374 0.00 0.00 +0.013 A ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7