REMARK Name = BDB009833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.924 3.325 0.177 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -2.006 1.922 -0.466 0.00 0.00 +0.055 C ATOM 3 C LIG 1 -0.614 1.545 -1.014 0.00 0.00 +0.223 C ATOM 4 O LIG 1 0.034 2.376 -1.654 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 -0.138 0.252 -0.829 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -0.533 -0.553 0.348 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -1.512 0.131 1.337 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -2.568 0.925 0.570 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -1.023 -1.950 -0.038 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.569 -3.064 0.690 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -1.002 -4.353 0.369 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.899 -4.541 -0.678 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -2.433 -6.127 -1.075 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -2.371 -3.450 -1.402 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.938 -2.160 -1.080 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -0.875 0.933 2.470 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -1.567 1.031 3.692 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -1.031 1.747 4.764 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -1.900 1.843 6.246 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 0.198 2.384 4.641 0.00 0.00 +0.020 A ATOM 21 C LIG 1 0.893 2.306 3.437 0.00 0.00 +0.002 A ATOM 22 C LIG 1 0.360 1.587 2.362 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 1.111 -0.189 -1.523 0.00 0.00 +0.101 C BRANCH 23 24 ATOM 24 C LIG 1 0.913 -0.590 -2.975 0.00 0.00 +0.011 C ATOM 25 C LIG 1 -0.386 -0.489 -3.740 0.00 0.00 +0.006 C ATOM 26 C LIG 1 0.757 0.416 -4.093 0.00 0.00 +0.006 C ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 2.302 0.759 -1.330 0.00 0.00 +0.194 C BRANCH 27 28 ATOM 28 S LIG 1 3.849 -0.105 -1.149 0.00 0.00 -0.001 S ATOM 29 O LIG 1 3.984 -1.068 -2.224 0.00 0.00 -0.169 OA ATOM 30 O LIG 1 4.891 0.873 -0.896 0.00 0.00 -0.169 OA BRANCH 28 31 ATOM 31 C LIG 1 3.657 -1.021 0.370 0.00 0.00 +0.088 A ATOM 32 C LIG 1 3.635 -0.326 1.585 0.00 0.00 +0.030 A ATOM 33 C LIG 1 3.450 -1.034 2.773 0.00 0.00 +0.040 A ATOM 34 C LIG 1 3.310 -2.419 2.734 0.00 0.00 +0.124 A ATOM 35 F LIG 1 3.124 -3.093 3.875 0.00 0.00 -0.205 F ATOM 36 C LIG 1 3.358 -3.114 1.529 0.00 0.00 +0.040 A ATOM 37 C LIG 1 3.537 -2.415 0.335 0.00 0.00 +0.030 A ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 5 23 BRANCH 2 38 ATOM 38 C LIG 1 -3.004 1.960 -1.652 0.00 0.00 +0.136 C BRANCH 38 39 ATOM 39 C LIG 1 -2.695 2.978 -2.720 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -2.871 4.181 -2.643 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -2.206 2.420 -3.842 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -1.983 3.187 -4.411 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 10