REMARK Name = BDB039021 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.455 -0.526 -1.700 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.512 -0.992 -0.800 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.330 -0.165 -0.586 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.225 -0.832 0.193 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.364 -2.137 0.720 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.315 -2.741 1.428 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.110 -2.071 1.661 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.011 -0.776 1.148 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -1.026 0.159 1.169 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.587 1.285 0.501 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.641 1.106 0.057 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.634 -2.910 0.466 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.010 -0.159 0.435 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.821 -1.981 0.225 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.290 0.450 -2.423 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.390 2.541 0.297 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.585 2.816 -1.203 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -2.349 4.117 -1.439 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.678 5.298 -0.745 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.473 5.033 0.744 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.708 3.733 0.986 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.587 -0.824 -2.622 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.595 -1.271 -1.697 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.317 -0.017 1.814 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -3.450 -0.366 0.835 0.00 0.00 +0.150 C BRANCH 25 26 ATOM 26 C LIG 1 -3.311 -1.750 0.229 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -2.978 -1.886 -1.125 0.00 0.00 +0.162 A ATOM 28 F LIG 1 -2.804 -0.791 -1.879 0.00 0.00 -0.202 F ATOM 29 C LIG 1 -2.823 -3.143 -1.700 0.00 0.00 +0.159 A ATOM 30 F LIG 1 -2.508 -3.257 -2.997 0.00 0.00 -0.202 F ATOM 31 C LIG 1 -2.997 -4.293 -0.939 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -3.331 -4.180 0.410 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -3.488 -2.918 0.993 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -4.808 -0.180 1.482 0.00 0.00 +0.314 C ATOM 35 O LIG 1 -5.853 0.055 0.896 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.819 -0.352 2.818 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -5.764 -0.233 3.062 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7