REMARK Name = BDB009737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.698 0.446 0.571 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -0.587 -0.232 0.253 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.364 0.452 -0.918 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.228 1.982 -0.983 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.466 2.644 0.170 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -1.290 2.741 1.468 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.805 1.841 0.481 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.856 2.435 0.736 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.485 -1.732 -0.056 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.192 -2.209 -1.192 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.222 -3.573 -1.492 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.437 -4.477 -0.665 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.398 -6.157 -1.030 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.131 -4.028 0.455 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.161 -2.663 0.754 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.829 0.014 -0.978 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.265 -0.809 -2.031 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.590 -1.240 -2.092 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.100 -2.253 -3.386 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.503 -0.860 -1.113 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.085 -0.043 -0.063 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.758 0.389 0.005 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.754 -0.211 1.409 0.00 0.00 +0.090 C BRANCH 23 25 ATOM 24 C LIG 1 2.254 -1.071 3.775 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.185 -0.773 2.731 0.00 0.00 +0.020 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.688 -1.206 0.663 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 3.099 -0.750 -0.677 0.00 0.00 -0.289 NA ATOM 28 C LIG 1 4.114 0.330 -0.594 0.00 0.00 +0.161 C ATOM 29 C LIG 1 4.963 -0.415 -1.649 0.00 0.00 +0.274 C ATOM 30 F LIG 1 6.293 -0.488 -1.400 0.00 0.00 -0.203 F ATOM 31 F LIG 1 4.828 -0.002 -2.933 0.00 0.00 -0.203 F ATOM 32 C LIG 1 4.131 -1.652 -1.241 0.00 0.00 +0.161 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 33 ATOM 33 C LIG 1 -0.017 4.076 -0.256 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 -1.117 4.999 -0.710 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -2.302 4.939 -0.438 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -0.647 6.002 -1.477 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -1.438 6.541 -1.687 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9