REMARK Name = BDB057929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.884 0.191 -0.519 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.882 -0.918 -1.360 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.063 -0.977 -2.421 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.723 -1.995 -1.105 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.595 -1.953 -0.014 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.644 -0.824 0.820 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.771 0.245 0.564 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.611 2.452 -0.874 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.039 1.366 -0.795 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.340 1.212 -0.946 0.00 0.00 -0.295 N ATOM 11 C LIG 1 2.121 2.434 -1.169 0.00 0.00 +0.125 C ATOM 12 C LIG 1 3.426 2.152 -1.920 0.00 0.00 +0.128 C ATOM 13 N LIG 1 4.240 1.090 -1.249 0.00 0.00 -0.174 NA ATOM 14 C LIG 1 3.433 -0.156 -1.062 0.00 0.00 +0.128 C ATOM 15 C LIG 1 2.095 0.101 -0.349 0.00 0.00 +0.125 C BRANCH 13 16 ATOM 16 S LIG 1 5.167 1.622 0.075 0.00 0.00 +0.061 S ATOM 17 O LIG 1 4.323 1.595 1.250 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 5.873 2.822 -0.315 0.00 0.00 -0.153 OA BRANCH 16 19 ATOM 19 C LIG 1 6.381 0.334 0.232 0.00 0.00 +0.106 A ATOM 20 C LIG 1 6.443 -0.436 1.397 0.00 0.00 +0.029 A ATOM 21 C LIG 1 7.403 -1.446 1.500 0.00 0.00 +0.016 A ATOM 22 C LIG 1 8.290 -1.673 0.445 0.00 0.00 +0.013 A ATOM 23 I LIG 1 9.715 -3.178 0.604 0.00 0.00 -0.044 I ATOM 24 C LIG 1 8.231 -0.896 -0.714 0.00 0.00 +0.016 A ATOM 25 C LIG 1 7.274 0.115 -0.822 0.00 0.00 +0.029 A ENDBRANCH 16 19 ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -3.598 -0.764 1.993 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -5.038 -1.087 1.617 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -5.879 -0.068 0.935 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -7.182 -0.437 0.608 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -8.039 0.462 -0.039 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -7.585 1.740 -0.362 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.283 2.115 -0.038 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.655 -1.788 0.951 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -8.794 -2.155 0.684 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.749 -2.603 1.583 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -7.061 -3.537 1.830 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -5.429 1.217 0.611 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -5.471 -2.279 1.913 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5