REMARK Name = BDB009640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.226 0.370 0.660 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -1.066 1.312 -0.102 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.120 0.632 -1.021 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.839 -0.466 -0.231 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.897 -1.503 0.423 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -1.814 -2.754 -0.481 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.464 -0.992 0.663 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.441 -1.791 0.919 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.722 2.366 0.799 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -2.075 2.109 2.134 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -2.681 3.096 2.916 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.943 4.350 2.372 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -3.691 5.562 3.336 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -2.602 4.627 1.052 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.995 3.641 0.270 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -1.655 0.140 -2.389 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.632 -0.109 -3.374 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -2.275 -0.567 -4.644 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -3.496 -0.864 -5.819 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -0.941 -0.784 -4.962 0.00 0.00 +0.020 A ATOM 21 C LIG 1 0.039 -0.538 -4.004 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -0.314 -0.078 -2.730 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.059 0.922 1.188 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 C LIG 1 2.256 0.771 0.217 0.00 0.00 +0.234 C ATOM 25 N LIG 1 2.513 -0.511 -0.211 0.00 0.00 -0.309 N ATOM 26 H LIG 1 1.954 -1.241 0.237 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 2.957 1.738 -0.072 0.00 0.00 -0.274 OA BRANCH 25 28 ATOM 28 C LIG 1 3.720 -0.949 -0.924 0.00 0.00 +0.026 C ATOM 29 C LIG 1 4.950 -0.816 -0.014 0.00 0.00 +0.031 C ATOM 30 C LIG 1 3.535 -2.431 -1.296 0.00 0.00 +0.031 C ATOM 31 C LIG 1 3.941 -0.154 -2.221 0.00 0.00 +0.031 C ENDBRANCH 25 28 ENDBRANCH 23 24 BRANCH 23 33 ATOM 32 C LIG 1 2.411 1.292 3.314 0.00 0.00 +0.006 C ATOM 33 C LIG 1 1.407 0.398 2.596 0.00 0.00 +0.028 C ENDBRANCH 23 33 ENDBRANCH 1 23 BRANCH 5 34 ATOM 34 C LIG 1 -2.520 -1.902 1.785 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 -1.688 -2.846 2.613 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -1.633 -4.058 2.490 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -0.975 -2.209 3.560 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -0.434 -2.922 3.961 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9