REMARK Name = BDB053689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.781 -0.775 0.810 0.00 0.00 +0.041 A ATOM 2 N LIG 1 -1.050 -2.044 0.307 0.00 0.00 -0.312 N ATOM 3 C LIG 1 0.135 -2.783 0.284 0.00 0.00 +0.058 A ATOM 4 C LIG 1 1.142 -1.993 0.842 0.00 0.00 +0.031 A ATOM 5 C LIG 1 2.430 -2.529 0.984 0.00 0.00 +0.121 A ATOM 6 N LIG 1 2.708 -3.788 0.574 0.00 0.00 -0.263 NA ATOM 7 C LIG 1 1.711 -4.536 0.063 0.00 0.00 +0.113 A ATOM 8 C LIG 1 0.404 -4.106 -0.100 0.00 0.00 +0.046 A ATOM 9 C LIG 1 0.562 -0.737 1.174 0.00 0.00 +0.067 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 1.226 0.404 1.793 0.00 0.00 +0.249 C ATOM 11 N LIG 1 2.232 1.027 1.064 0.00 0.00 -0.295 N ATOM 12 C LIG 1 2.932 2.157 1.675 0.00 0.00 +0.123 C ATOM 13 C LIG 1 4.288 2.420 1.000 0.00 0.00 +0.100 C ATOM 14 N LIG 1 4.219 2.660 -0.453 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 5.052 2.264 -0.888 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 3.011 2.080 -1.061 0.00 0.00 +0.100 C ATOM 17 C LIG 1 2.485 0.811 -0.366 0.00 0.00 +0.123 C ATOM 18 O LIG 1 0.894 0.776 2.916 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 -2.316 -2.535 -0.116 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -3.433 -2.394 0.716 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -4.672 -2.885 0.302 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.797 -3.517 -0.935 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.683 -3.665 -1.761 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -2.439 -3.179 -1.353 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 C LIG 1 -1.763 0.372 0.839 0.00 0.00 +0.090 C BRANCH 25 28 ATOM 26 C LIG 1 -1.311 3.287 1.598 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -1.224 2.805 0.178 0.00 0.00 -0.012 A ATOM 28 C LIG 1 -1.437 1.455 -0.181 0.00 0.00 -0.036 A ATOM 29 C LIG 1 -1.383 1.101 -1.547 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -1.082 2.042 -2.531 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -0.841 3.361 -2.170 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -0.916 3.730 -0.831 0.00 0.00 +0.127 A ATOM 33 F LIG 1 -0.689 5.014 -0.516 0.00 0.00 -0.205 F ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 4