REMARK Name = BDB055723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.074 2.454 -0.997 0.00 0.00 +0.162 C ATOM 2 N LIG 1 0.136 3.142 -0.529 0.00 0.00 -0.286 N ATOM 3 C LIG 1 1.444 2.709 -0.617 0.00 0.00 +0.250 C ATOM 4 O LIG 1 2.407 3.368 -0.235 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -0.168 4.451 0.016 0.00 0.00 +0.109 C ATOM 6 C LIG 1 -1.683 4.484 0.121 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -2.127 3.567 -1.015 0.00 0.00 +0.033 C ENDROOT BRANCH 1 16 ATOM 8 O LIG 1 -4.684 -3.252 3.130 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -4.354 -2.338 2.385 0.00 0.00 +0.244 C ATOM 10 C LIG 1 -4.847 -2.241 0.984 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.271 -1.318 0.086 0.00 0.00 -0.010 A ATOM 12 C LIG 1 -4.856 -1.154 -1.180 0.00 0.00 -0.040 A ATOM 13 C LIG 1 -4.378 -0.063 -2.091 0.00 0.00 +0.054 C ATOM 14 C LIG 1 -2.932 0.319 -1.815 0.00 0.00 +0.113 C ATOM 15 N LIG 1 -2.655 0.561 -0.396 0.00 0.00 -0.291 N ATOM 16 C LIG 1 -1.504 1.298 -0.051 0.00 0.00 +0.237 C ATOM 17 O LIG 1 -0.865 1.050 0.973 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -5.959 -1.938 -1.549 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -6.482 -2.888 -0.672 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -3.020 -0.549 0.516 0.00 0.00 +0.124 C ATOM 21 C LIG 1 -3.252 -0.154 1.997 0.00 0.00 +0.131 C ATOM 22 C LIG 1 -5.933 -3.034 0.599 0.00 0.00 +0.013 A ATOM 23 N LIG 1 -3.526 -1.329 2.807 0.00 0.00 -0.309 N ATOM 24 H LIG 1 -3.274 -1.346 3.788 0.00 0.00 +0.149 HD ENDBRANCH 1 16 BRANCH 3 25 ATOM 25 C LIG 1 1.705 1.371 -1.165 0.00 0.00 +0.072 A ATOM 26 C LIG 1 1.655 1.149 -2.536 0.00 0.00 +0.135 A ATOM 27 F LIG 1 1.317 2.133 -3.382 0.00 0.00 -0.205 F ATOM 28 C LIG 1 1.923 -0.115 -3.050 0.00 0.00 +0.039 A ATOM 29 C LIG 1 2.262 -1.158 -2.184 0.00 0.00 +0.007 A ATOM 30 C LIG 1 2.350 -0.942 -0.798 0.00 0.00 -0.041 A ATOM 31 C LIG 1 2.056 0.335 -0.293 0.00 0.00 +0.020 A BRANCH 30 32 ATOM 32 C LIG 1 2.700 -2.090 0.124 0.00 0.00 +0.093 C BRANCH 32 33 ATOM 33 C LIG 1 3.646 -1.720 1.259 0.00 0.00 +0.074 A ATOM 34 C LIG 1 5.085 -1.476 0.982 0.00 0.00 +0.011 A ATOM 35 C LIG 1 5.890 -1.130 2.066 0.00 0.00 +0.050 A ATOM 36 C LIG 1 7.257 -0.882 1.890 0.00 0.00 +0.014 A ATOM 37 C LIG 1 7.821 -0.982 0.619 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.022 -1.330 -0.469 0.00 0.00 +0.001 A ATOM 39 C LIG 1 5.290 -1.032 3.406 0.00 0.00 +0.272 A ATOM 40 O LIG 1 5.962 -0.739 4.388 0.00 0.00 -0.266 OA ATOM 41 N LIG 1 3.944 -1.295 3.485 0.00 0.00 -0.242 N ATOM 42 H LIG 1 3.510 -1.224 4.400 0.00 0.00 +0.192 HD ATOM 43 C LIG 1 5.657 -1.579 -0.291 0.00 0.00 +0.010 A ATOM 44 N LIG 1 3.130 -1.631 2.450 0.00 0.00 -0.175 NA ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 3 25 TORSDOF 4