REMARK Name = BDB009633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.526 0.496 -0.118 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -1.442 0.052 0.953 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.940 -0.010 0.531 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -3.081 -0.690 -0.838 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.150 -0.146 -1.936 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -2.622 1.220 -2.468 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.711 0.054 -1.431 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.238 -0.054 -2.212 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.034 -1.285 1.592 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.586 -2.388 0.846 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.245 -3.590 1.474 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.358 -3.708 2.856 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.066 -5.186 3.627 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.816 -2.637 3.615 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.157 -1.436 2.987 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.758 1.278 0.636 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -5.162 1.175 0.701 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.962 2.314 0.809 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -7.673 2.152 0.884 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.385 3.577 0.858 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.999 3.699 0.795 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.195 2.559 0.687 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 0.849 0.996 0.220 0.00 0.00 +0.090 C BRANCH 23 25 ATOM 24 C LIG 1 1.090 1.748 2.724 0.00 0.00 +0.006 C ATOM 25 C LIG 1 0.893 2.139 1.265 0.00 0.00 +0.020 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 1.885 -0.141 0.471 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 3.296 0.300 0.523 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 4.186 -0.795 0.977 0.00 0.00 +0.115 C ATOM 29 C LIG 1 4.883 -1.538 -0.182 0.00 0.00 +0.130 C ATOM 30 C LIG 1 5.759 -2.671 0.336 0.00 0.00 +0.039 C ATOM 31 O LIG 1 5.722 -0.669 -0.962 0.00 0.00 -0.371 OA ATOM 32 C LIG 1 5.276 0.698 -0.973 0.00 0.00 +0.130 C ATOM 33 C LIG 1 5.726 1.312 -2.292 0.00 0.00 +0.039 C ATOM 34 C LIG 1 3.748 0.819 -0.792 0.00 0.00 +0.115 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 35 ATOM 35 C LIG 1 -2.090 -1.153 -3.116 0.00 0.00 +0.136 C BRANCH 35 36 ATOM 36 C LIG 1 -3.432 -1.492 -3.699 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -4.193 -2.354 -3.292 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.765 -0.715 -4.744 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -4.648 -1.041 -5.021 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9