REMARK Name = BDB038954 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.360 -0.330 -0.617 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.271 -0.794 0.099 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.021 -0.055 -0.036 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.811 -0.755 0.531 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.912 -1.994 1.207 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.770 -2.631 1.714 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.500 -2.059 1.595 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.417 -0.827 0.939 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.638 0.008 0.637 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.137 1.118 -0.014 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.169 1.013 -0.157 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.257 -2.666 1.331 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.530 -0.178 0.420 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.402 -1.659 1.264 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.299 0.559 -1.459 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.959 2.288 -0.484 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.975 3.393 0.582 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -1.770 4.611 0.117 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.260 5.141 -1.220 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.234 4.049 -2.285 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.433 2.834 -1.823 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.660 -0.521 -1.013 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.516 -0.970 -0.286 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.022 -0.249 0.995 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 -2.722 -1.284 0.087 0.00 0.00 +0.049 C BRANCH 25 26 ATOM 26 C LIG 1 -4.070 -1.669 0.692 0.00 0.00 -0.037 A ATOM 27 C LIG 1 -4.313 -3.003 1.059 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -5.538 -3.369 1.614 0.00 0.00 +0.126 A ATOM 29 F LIG 1 -5.746 -4.647 1.960 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -6.543 -2.437 1.817 0.00 0.00 +0.076 A ATOM 31 C LIG 1 -6.309 -1.120 1.450 0.00 0.00 +0.126 A ATOM 32 F LIG 1 -7.268 -0.204 1.635 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -5.092 -0.728 0.893 0.00 0.00 +0.042 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -2.873 -0.787 -1.362 0.00 0.00 +0.130 C BRANCH 34 35 ATOM 35 C LIG 1 -3.342 -1.881 -2.285 0.00 0.00 +0.305 C ATOM 36 O LIG 1 -3.167 -3.079 -2.154 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -3.979 -1.391 -3.365 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -4.204 -2.185 -3.895 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8