REMARK Name = BDB009364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.560 -0.444 -2.476 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.411 0.779 -3.121 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.802 1.247 -3.446 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.528 1.540 -3.451 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.807 1.067 -3.144 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.979 -0.173 -2.508 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.843 -0.934 -2.194 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.603 -2.441 -2.558 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.604 -1.284 -2.139 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.618 -0.769 -1.342 0.00 0.00 -0.295 N ATOM 11 C LIG 1 1.563 0.503 -0.609 0.00 0.00 +0.125 C ATOM 12 C LIG 1 2.348 0.443 0.708 0.00 0.00 +0.128 C ATOM 13 N LIG 1 3.790 0.095 0.487 0.00 0.00 -0.174 NA ATOM 14 C LIG 1 4.024 -0.781 -0.710 0.00 0.00 +0.128 C ATOM 15 C LIG 1 2.789 -1.609 -1.082 0.00 0.00 +0.125 C BRANCH 13 16 ATOM 16 S LIG 1 4.573 -0.396 1.923 0.00 0.00 +0.061 S ATOM 17 O LIG 1 4.266 0.573 2.953 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 4.282 -1.803 2.101 0.00 0.00 -0.153 OA BRANCH 16 19 ATOM 19 C LIG 1 6.290 -0.212 1.515 0.00 0.00 +0.105 A ATOM 20 C LIG 1 7.137 -1.323 1.528 0.00 0.00 +0.028 A ATOM 21 C LIG 1 8.483 -1.159 1.200 0.00 0.00 +0.002 A ATOM 22 C LIG 1 8.973 0.106 0.867 0.00 0.00 +0.000 A ATOM 23 C LIG 1 8.122 1.213 0.863 0.00 0.00 +0.002 A ATOM 24 C LIG 1 6.775 1.058 1.190 0.00 0.00 +0.028 A ENDBRANCH 16 19 ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 -4.364 -0.706 -2.212 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -5.200 0.233 -1.346 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -5.115 0.138 0.146 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -4.201 -0.855 0.808 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -4.014 -0.607 2.308 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.338 -0.267 2.980 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.967 0.978 2.352 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -5.896 0.976 0.850 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -6.760 1.957 0.147 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -7.468 2.751 0.758 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.714 1.923 -1.220 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -7.302 2.582 -1.720 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -5.959 1.082 -1.974 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5