REMARK Name = BDB009758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.916 0.411 -0.351 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.151 -0.546 0.038 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.538 0.086 0.331 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.372 1.405 1.086 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.481 2.386 0.316 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -0.299 3.647 1.190 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.889 1.741 0.082 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.907 2.429 0.172 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.325 -1.655 -1.006 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.552 -1.354 -2.359 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.728 -2.376 -3.295 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.682 -3.706 -2.886 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.899 -4.963 -4.039 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.462 -4.024 -1.548 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.284 -3.003 -0.611 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.474 -0.853 1.091 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.652 -1.303 0.472 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.514 -2.172 1.142 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.952 -2.714 0.366 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.220 -2.605 2.431 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.054 -2.166 3.057 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -2.187 -1.296 2.392 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 2.274 -0.188 -0.579 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 C LIG 1 3.234 -0.079 0.615 0.00 0.00 +0.149 A ATOM 25 N LIG 1 2.704 -0.238 1.853 0.00 0.00 -0.238 NA ATOM 26 C LIG 1 3.562 -0.172 2.888 0.00 0.00 +0.114 A ATOM 27 C LIG 1 4.916 0.006 2.743 0.00 0.00 +0.039 A ATOM 28 C LIG 1 5.364 0.109 1.449 0.00 0.00 +0.114 A ATOM 29 N LIG 1 4.556 0.051 0.375 0.00 0.00 -0.238 NA ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 3.244 1.598 -2.246 0.00 0.00 +0.006 C ATOM 31 C LIG 1 2.865 0.151 -1.971 0.00 0.00 +0.027 C ENDBRANCH 23 31 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 -1.015 2.792 -1.074 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -2.405 3.362 -1.050 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -2.716 4.505 -0.764 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.346 2.453 -1.366 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -4.188 2.954 -1.310 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8