REMARK Name = BDB009159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.899 -2.140 1.028 0.00 0.00 +0.018 C ATOM 2 C LIG 1 0.364 -3.372 0.493 0.00 0.00 +0.127 C ATOM 3 F LIG 1 1.224 -4.320 0.069 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.951 -3.583 0.392 0.00 0.00 +0.017 C ATOM 5 C LIG 1 -1.963 -2.570 0.833 0.00 0.00 +0.065 C ATOM 6 C LIG 1 -1.396 -1.333 1.536 0.00 0.00 -0.044 C ATOM 7 C LIG 1 -2.204 -0.421 2.142 0.00 0.00 -0.063 C ATOM 8 C LIG 1 -1.698 0.735 2.985 0.00 0.00 +0.040 C ATOM 9 C LIG 1 0.065 -1.202 1.523 0.00 0.00 +0.015 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.064 -1.191 0.071 0.00 0.00 -0.035 A ATOM 11 C LIG 1 2.353 -1.869 1.095 0.00 0.00 -0.012 A ATOM 12 C LIG 1 3.027 -2.313 2.246 0.00 0.00 +0.009 A ATOM 13 C LIG 1 4.389 -2.088 2.404 0.00 0.00 +0.001 A ATOM 14 C LIG 1 5.097 -1.424 1.408 0.00 0.00 +0.005 A ATOM 15 C LIG 1 4.460 -0.985 0.231 0.00 0.00 -0.028 A BRANCH 10 17 ATOM 16 C LIG 1 2.371 -1.760 -2.293 0.00 0.00 +0.009 C ATOM 17 C LIG 1 2.347 -0.720 -1.181 0.00 0.00 +0.033 C ENDBRANCH 10 17 BRANCH 15 18 ATOM 18 C LIG 1 5.313 -0.253 -0.785 0.00 0.00 +0.140 C BRANCH 18 19 ATOM 19 N LIG 1 5.325 1.180 -0.510 0.00 0.00 -0.190 NA ATOM 20 H LIG 1 4.487 1.592 -0.103 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 S LIG 1 6.210 2.190 -1.497 0.00 0.00 +0.027 S ATOM 22 O LIG 1 6.065 3.519 -0.948 0.00 0.00 -0.158 OA ATOM 23 O LIG 1 7.505 1.587 -1.714 0.00 0.00 -0.158 OA ATOM 24 C LIG 1 5.300 2.137 -3.027 0.00 0.00 +0.214 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 1 11 BRANCH 7 25 ATOM 25 C LIG 1 -3.726 -0.496 2.096 0.00 0.00 +0.088 C BRANCH 25 26 ATOM 26 C LIG 1 -4.365 0.834 1.667 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -4.327 1.256 0.232 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -3.761 0.355 -0.826 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -4.092 0.804 -2.253 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -3.923 2.310 -2.409 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -4.831 3.064 -1.435 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -4.832 2.469 -0.054 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -5.436 3.298 1.020 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -5.914 4.404 0.792 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -5.436 2.745 2.272 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -5.842 3.296 3.021 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -4.900 1.545 2.616 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 7