REMARK Name = BDB035160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.538 -1.208 0.744 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -2.607 -2.544 0.815 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 -1.977 -2.939 -0.315 0.00 0.00 -0.220 N ATOM 4 C LIG 1 -1.574 -1.814 -1.034 0.00 0.00 +0.160 A ATOM 5 C LIG 1 -0.869 -2.001 -2.276 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.670 -3.277 -2.692 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.111 -4.433 -1.928 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -1.747 -4.237 -0.763 0.00 0.00 +0.115 A ATOM 9 N LIG 1 -1.942 -0.725 -0.395 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.643 -0.336 3.063 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -3.080 -0.320 1.747 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -4.061 0.619 1.437 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -4.544 1.466 2.386 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -4.049 1.356 3.624 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -3.111 0.492 4.020 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.641 0.760 0.040 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.567 -0.305 -0.505 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -6.115 1.043 -0.149 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -1.338 -1.247 4.795 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -1.629 -1.215 3.403 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -0.374 -0.842 -3.120 0.00 0.00 +0.074 C BRANCH 21 22 ATOM 22 C LIG 1 0.842 -0.166 -2.527 0.00 0.00 -0.043 A ATOM 23 C LIG 1 0.693 0.932 -1.670 0.00 0.00 +0.004 A ATOM 24 C LIG 1 1.811 1.539 -1.090 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.097 1.048 -1.343 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.247 -0.034 -2.219 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.131 -0.641 -2.801 0.00 0.00 +0.004 A BRANCH 25 28 ATOM 28 C LIG 1 4.284 1.648 -0.732 0.00 0.00 +0.141 A ATOM 29 N LIG 1 4.462 1.880 0.616 0.00 0.00 -0.333 N ATOM 30 C LIG 1 3.561 1.519 1.686 0.00 0.00 +0.150 C ATOM 31 C LIG 1 5.691 2.454 0.794 0.00 0.00 +0.119 A ATOM 32 C LIG 1 6.262 2.523 -0.464 0.00 0.00 +0.162 A ATOM 33 N LIG 1 5.373 2.001 -1.392 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 7.611 3.058 -0.849 0.00 0.00 +0.436 C ATOM 35 F LIG 1 8.182 2.375 -1.876 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.491 2.996 0.190 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.554 4.364 -1.223 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 7