REMARK Name = BDB025482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.189 -1.028 -1.907 0.00 0.00 +0.142 A ATOM 2 C LIG 1 2.131 -0.328 -1.148 0.00 0.00 +0.018 A ATOM 3 C LIG 1 3.552 0.024 -1.371 0.00 0.00 +0.057 C ATOM 4 C LIG 1 3.955 1.166 -0.418 0.00 0.00 +0.114 C ATOM 5 N LIG 1 3.489 0.945 0.990 0.00 0.00 -0.170 NA ATOM 6 C LIG 1 2.006 0.802 1.149 0.00 0.00 +0.165 C ATOM 7 C LIG 1 1.461 0.041 -0.003 0.00 0.00 +0.069 A ATOM 8 N LIG 1 0.162 -0.409 -0.137 0.00 0.00 -0.201 N ATOM 9 C LIG 1 -0.924 -0.206 0.738 0.00 0.00 +0.255 C ATOM 10 O LIG 1 -0.755 0.490 1.736 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 0.008 -1.091 -1.306 0.00 0.00 -0.149 NA ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 -2.235 -0.868 0.338 0.00 0.00 +0.113 C ATOM 13 C LIG 1 -3.254 0.117 -0.217 0.00 0.00 -0.012 A ATOM 14 C LIG 1 -4.611 -0.005 0.144 0.00 0.00 +0.031 A ATOM 15 C LIG 1 -5.542 0.918 -0.357 0.00 0.00 +0.026 A ATOM 16 C LIG 1 -5.146 1.945 -1.213 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -3.816 2.037 -1.589 0.00 0.00 +0.124 A ATOM 18 F LIG 1 -3.432 3.007 -2.429 0.00 0.00 -0.205 F ATOM 19 N LIG 1 -5.085 -1.071 0.908 0.00 0.00 -0.344 N ATOM 20 H LIG 1 -5.774 -0.795 1.604 0.00 0.00 +0.146 HD ATOM 21 C LIG 1 -4.163 -2.116 1.317 0.00 0.00 +0.102 C ATOM 22 C LIG 1 -2.873 1.133 -1.111 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -2.787 -1.549 1.603 0.00 0.00 +0.036 C ENDBRANCH 9 12 BRANCH 1 24 ATOM 24 N LIG 1 1.435 -1.578 -3.100 0.00 0.00 -0.341 N ATOM 25 H LIG 1 2.378 -1.861 -3.340 0.00 0.00 +0.144 HD ATOM 26 H LIG 1 0.736 -2.233 -3.437 0.00 0.00 +0.144 HD ENDBRANCH 1 24 BRANCH 5 27 ATOM 27 S LIG 1 4.449 -0.023 2.012 0.00 0.00 +0.094 S ATOM 28 O LIG 1 3.800 -0.052 3.309 0.00 0.00 -0.152 OA ATOM 29 O LIG 1 4.696 -1.262 1.296 0.00 0.00 -0.152 OA BRANCH 27 30 ATOM 30 C LIG 1 6.020 0.913 2.145 0.00 0.00 +0.496 C ATOM 31 F LIG 1 5.824 2.261 2.223 0.00 0.00 -0.182 F ATOM 32 F LIG 1 6.752 0.560 3.240 0.00 0.00 -0.182 F ENDBRANCH 27 30 ENDBRANCH 5 27 TORSDOF 4