REMARK Name = BDB059476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.364 -0.035 -1.173 0.00 0.00 -0.246 N ATOM 2 C LIG 1 1.320 -1.349 -0.804 0.00 0.00 +0.165 A ATOM 3 C LIG 1 0.100 -1.530 -0.179 0.00 0.00 +0.083 A ATOM 4 C LIG 1 -0.127 -2.824 0.247 0.00 0.00 +0.146 A ATOM 5 N LIG 1 0.778 -3.801 0.081 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 1.931 -3.482 -0.514 0.00 0.00 +0.216 A ATOM 7 CL LIG 1 -1.603 -3.242 0.971 0.00 0.00 -0.061 Cl ATOM 8 C LIG 1 -0.522 -0.251 -0.214 0.00 0.00 +0.105 A ATOM 9 N LIG 1 2.266 -2.282 -1.002 0.00 0.00 -0.195 NA ATOM 10 N LIG 1 0.249 0.651 -0.847 0.00 0.00 -0.169 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -1.817 0.156 0.319 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -2.800 0.643 -0.563 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -4.035 1.030 -0.029 0.00 0.00 +0.112 A ATOM 14 C LIG 1 -4.238 0.931 1.338 0.00 0.00 +0.157 A ATOM 15 O LIG 1 -5.504 1.366 1.601 0.00 0.00 -0.425 OA ATOM 16 C LIG 1 -5.994 1.693 0.372 0.00 0.00 +0.286 A ATOM 17 C LIG 1 -3.296 0.471 2.249 0.00 0.00 +0.049 A ATOM 18 N LIG 1 -5.165 1.525 -0.630 0.00 0.00 -0.196 NA ATOM 19 C LIG 1 -2.064 0.085 1.703 0.00 0.00 +0.014 A BRANCH 16 20 ATOM 20 N LIG 1 -7.242 2.166 0.343 0.00 0.00 -0.313 N ATOM 21 H LIG 1 -7.477 2.705 -0.482 0.00 0.00 +0.147 HD ATOM 22 H LIG 1 -7.585 2.568 1.206 0.00 0.00 +0.147 HD ENDBRANCH 16 20 ENDBRANCH 8 11 BRANCH 6 23 ATOM 23 N LIG 1 2.847 -4.500 -0.675 0.00 0.00 -0.327 N ATOM 24 H LIG 1 2.383 -5.397 -0.649 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 3.456 -4.312 -1.458 0.00 0.00 +0.145 HD ENDBRANCH 6 23 BRANCH 1 26 ATOM 26 C LIG 1 2.444 0.637 -1.868 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 C LIG 1 3.281 1.543 -0.964 0.00 0.00 +0.023 C BRANCH 27 29 ATOM 28 C LIG 1 4.973 1.690 0.897 0.00 0.00 +0.004 C ATOM 29 C LIG 1 4.090 0.765 0.076 0.00 0.00 -0.002 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 6