REMARK Name = BDB009446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.083 -1.248 1.147 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.127 -2.551 1.628 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.345 -2.940 2.644 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.963 -3.487 1.028 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.770 -3.110 -0.050 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.755 -1.789 -0.529 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.891 -0.860 0.071 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 4.732 1.514 -0.383 0.00 0.00 +0.234 C ATOM 9 N LIG 1 3.481 1.059 0.024 0.00 0.00 -0.297 N ATOM 10 C LIG 1 2.907 -0.253 -0.299 0.00 0.00 +0.127 C ATOM 11 C LIG 1 1.374 -0.307 -0.174 0.00 0.00 +0.127 C ATOM 12 N LIG 1 0.891 0.215 1.108 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.214 -0.262 1.804 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -0.531 0.124 2.925 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 1.678 1.286 1.726 0.00 0.00 +0.127 C ATOM 16 C LIG 1 2.600 1.998 0.731 0.00 0.00 +0.127 C ATOM 17 O LIG 1 5.027 2.707 -0.277 0.00 0.00 -0.274 OA BRANCH 8 20 ATOM 18 C LIG 1 6.178 -0.997 1.119 0.00 0.00 +0.024 C ATOM 19 C LIG 1 6.764 0.022 0.142 0.00 0.00 +0.036 C ATOM 20 C LIG 1 5.748 0.478 -0.929 0.00 0.00 +0.157 C ATOM 21 N LIG 1 6.536 1.066 -2.039 0.00 0.00 -0.296 NA ATOM 22 H LIG 1 5.945 1.298 -2.832 0.00 0.00 +0.123 HD ATOM 23 C LIG 1 7.565 0.104 -2.398 0.00 0.00 +0.152 C ATOM 24 S LIG 1 8.037 -0.798 -0.901 0.00 0.00 -0.137 S ATOM 25 C LIG 1 7.449 1.161 0.910 0.00 0.00 +0.024 C ENDBRANCH 8 20 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 C LIG 1 -3.625 -1.405 -1.706 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C LIG 1 -4.323 -0.058 -1.546 0.00 0.00 +0.069 A ATOM 28 C LIG 1 -5.477 0.073 -0.602 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -5.989 -1.114 0.166 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -7.357 -0.873 0.813 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -7.418 0.499 1.472 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -7.159 1.609 0.452 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -6.022 1.296 -0.482 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -5.499 2.427 -1.288 0.00 0.00 +0.268 A ATOM 35 O LIG 1 -5.989 3.550 -1.225 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.442 2.139 -2.109 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -4.072 2.901 -2.668 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -3.845 0.926 -2.249 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4