REMARK Name = BDB009765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.328 0.939 -0.060 0.00 0.00 -0.285 N ATOM 2 C LIG 1 -1.147 -0.297 -0.012 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.891 -0.570 -1.355 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.513 0.679 -2.010 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.166 2.027 -1.351 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -3.123 2.293 -0.169 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.722 2.020 -0.838 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.022 2.974 -1.053 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.345 -1.551 0.367 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.708 -2.298 1.501 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.003 -3.448 1.853 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.080 -3.863 1.076 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 1.957 -5.278 1.512 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 1.453 -3.140 -0.053 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.742 -1.992 -0.409 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.923 -1.692 -1.253 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.045 -1.587 -0.413 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.964 -2.634 -0.327 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -6.328 -2.481 0.714 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.785 -3.797 -1.071 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.677 -3.915 -1.910 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -2.753 -2.870 -2.001 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 0.739 1.139 0.973 0.00 0.00 +0.125 C BRANCH 23 24 ATOM 24 C LIG 1 2.169 0.868 0.523 0.00 0.00 +0.062 A ATOM 25 N LIG 1 2.969 0.260 1.443 0.00 0.00 -0.254 NA ATOM 26 C LIG 1 4.265 -0.007 1.137 0.00 0.00 +0.045 A ATOM 27 C LIG 1 4.791 0.349 -0.103 0.00 0.00 +0.023 A ATOM 28 C LIG 1 3.978 0.969 -1.044 0.00 0.00 +0.004 A ATOM 29 C LIG 1 2.650 1.233 -0.729 0.00 0.00 +0.025 A BRANCH 26 30 ATOM 30 C LIG 1 5.119 -0.669 2.192 0.00 0.00 +0.038 C ATOM 31 C LIG 1 4.748 -2.057 2.676 0.00 0.00 +0.010 C ATOM 32 C LIG 1 5.993 -1.861 1.858 0.00 0.00 +0.010 C ENDBRANCH 26 30 ENDBRANCH 23 24 BRANCH 23 34 ATOM 33 C LIG 1 1.519 3.580 1.575 0.00 0.00 +0.006 C ATOM 34 C LIG 1 0.573 2.416 1.846 0.00 0.00 +0.025 C ENDBRANCH 23 34 ENDBRANCH 1 23 BRANCH 5 35 ATOM 35 C LIG 1 -2.351 3.127 -2.439 0.00 0.00 +0.136 C BRANCH 35 36 ATOM 36 C LIG 1 -1.967 4.548 -2.103 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -1.361 5.309 -2.843 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.455 4.996 -0.934 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -2.109 5.913 -0.884 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9