REMARK Name = BDB009354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.484 0.473 -0.245 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.057 -0.726 -0.811 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.125 -1.265 -0.475 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.847 -1.383 -1.748 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.089 -0.853 -2.105 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.557 0.331 -1.511 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.739 0.996 -0.585 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.265 1.470 1.826 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.314 1.167 0.783 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.657 1.450 0.548 0.00 0.00 -0.295 N ATOM 11 C LIG 1 2.232 1.628 -0.794 0.00 0.00 +0.125 C ATOM 12 C LIG 1 3.726 1.275 -0.827 0.00 0.00 +0.128 C ATOM 13 N LIG 1 4.452 2.053 0.216 0.00 0.00 -0.174 NA ATOM 14 C LIG 1 3.900 1.795 1.579 0.00 0.00 +0.128 C ATOM 15 C LIG 1 2.401 2.129 1.615 0.00 0.00 +0.125 C BRANCH 13 16 ATOM 16 S LIG 1 6.141 2.129 0.078 0.00 0.00 +0.061 S ATOM 17 O LIG 1 6.640 2.962 1.151 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 6.460 2.423 -1.304 0.00 0.00 -0.153 OA BRANCH 16 19 ATOM 19 C LIG 1 6.664 0.459 0.406 0.00 0.00 +0.105 A ATOM 20 C LIG 1 6.983 0.078 1.713 0.00 0.00 +0.028 A ATOM 21 C LIG 1 7.414 -1.225 1.963 0.00 0.00 +0.002 A ATOM 22 C LIG 1 7.539 -2.133 0.910 0.00 0.00 +0.000 A ATOM 23 C LIG 1 7.244 -1.741 -0.397 0.00 0.00 +0.002 A ATOM 24 C LIG 1 6.813 -0.440 -0.655 0.00 0.00 +0.028 A ENDBRANCH 16 19 ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 -3.911 0.898 -1.875 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -5.049 -0.108 -1.751 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.500 -0.544 -0.383 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -4.920 -0.054 0.778 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -4.386 0.805 0.697 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -5.524 -0.287 2.082 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -6.075 -1.709 2.135 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -7.020 -1.986 0.957 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -6.493 -1.447 -0.345 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -7.103 -1.945 -1.597 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -8.026 -2.753 -1.590 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.580 -1.446 -2.761 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -6.988 -1.776 -3.630 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.568 -0.543 -2.862 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5