REMARK Name = BDB009754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.588 0.493 -0.377 0.00 0.00 -0.285 N ATOM 2 C LIG 1 -0.620 -0.262 0.019 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.912 0.464 -0.449 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.987 1.870 0.153 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.635 2.611 0.197 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -0.228 2.799 1.678 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.544 1.883 -0.475 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.446 2.547 -0.989 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.607 -1.691 -0.535 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.483 -1.932 -1.916 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.481 -3.237 -2.413 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.608 -4.310 -1.536 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.605 -5.919 -2.146 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.735 -4.092 -0.165 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.734 -2.788 0.334 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.208 -0.288 -0.151 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.070 -0.626 -1.207 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.251 -1.326 -0.958 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -6.291 -1.738 -2.265 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.594 -1.694 0.340 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.751 -1.360 1.398 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.566 -0.661 1.155 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.926 -0.164 -0.233 0.00 0.00 +0.125 C BRANCH 23 24 ATOM 24 C LIG 1 2.425 -0.046 1.209 0.00 0.00 +0.062 A ATOM 25 N LIG 1 2.855 1.164 1.646 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 3.268 1.264 2.928 0.00 0.00 +0.111 A ATOM 27 C LIG 1 3.260 0.210 3.822 0.00 0.00 +0.020 A ATOM 28 C LIG 1 2.801 -1.022 3.376 0.00 0.00 +0.003 A ATOM 29 C LIG 1 2.375 -1.155 2.057 0.00 0.00 +0.025 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 2.969 0.274 -1.292 0.00 0.00 +0.028 C BRANCH 30 32 ATOM 31 C LIG 1 5.061 -1.015 -0.535 0.00 0.00 +0.004 C ATOM 32 C LIG 1 4.034 -0.780 -1.630 0.00 0.00 -0.001 C ENDBRANCH 30 32 ENDBRANCH 23 30 ENDBRANCH 1 23 BRANCH 5 33 ATOM 33 C LIG 1 -0.775 4.027 -0.422 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 -0.994 3.998 -1.915 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -1.354 3.048 -2.591 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -0.804 5.207 -2.477 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -0.940 5.050 -3.435 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9