REMARK Name = BDB048466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.815 -0.215 0.842 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.507 0.330 0.761 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -0.962 0.376 2.074 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -2.236 0.829 2.433 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -3.072 1.259 1.398 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -2.637 1.245 0.073 0.00 0.00 +0.049 A ATOM 7 N LIG 1 0.076 -0.095 2.828 0.00 0.00 -0.276 N ATOM 8 H LIG 1 0.106 -0.206 3.834 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.360 0.787 -0.265 0.00 0.00 +0.036 A ATOM 10 N LIG 1 1.166 -0.430 2.122 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.030 -0.525 -1.118 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.115 -0.252 -0.092 0.00 0.00 +0.033 A ATOM 13 C LIG 1 1.744 -0.514 -0.248 0.00 0.00 +0.004 A ATOM 14 C LIG 1 1.296 -1.079 -1.447 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.200 -1.351 -2.475 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.559 -1.071 -2.312 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 6.456 -0.400 -1.692 0.00 0.00 +0.241 C ATOM 18 N LIG 1 5.385 -0.231 -0.862 0.00 0.00 -0.282 N ATOM 19 H LIG 1 5.585 0.130 0.068 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 6.431 -0.799 -2.852 0.00 0.00 -0.270 OA BRANCH 17 22 ATOM 21 C LIG 1 8.300 0.073 0.090 0.00 0.00 +0.096 C ATOM 22 C LIG 1 7.784 0.003 -1.146 0.00 0.00 +0.074 C BRANCH 21 24 ATOM 23 O LIG 1 8.375 -0.540 2.380 0.00 0.00 -0.246 OA ATOM 24 C LIG 1 7.724 -0.205 1.408 0.00 0.00 +0.330 C BRANCH 24 25 ATOM 25 O LIG 1 6.408 0.024 1.496 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 6.207 -0.193 2.434 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 -3.530 1.670 -0.948 0.00 0.00 -0.216 N ATOM 28 H LIG 1 -3.193 2.379 -1.599 0.00 0.00 +0.174 HD BRANCH 27 29 ATOM 29 S LIG 1 -4.413 0.482 -1.767 0.00 0.00 +0.072 S ATOM 30 O LIG 1 -5.020 1.145 -2.902 0.00 0.00 -0.150 OA ATOM 31 O LIG 1 -3.591 -0.696 -1.945 0.00 0.00 -0.150 OA BRANCH 29 32 ATOM 32 C LIG 1 -5.713 0.108 -0.615 0.00 0.00 +0.109 A ATOM 33 C LIG 1 -6.821 0.960 -0.529 0.00 0.00 +0.031 A ATOM 34 C LIG 1 -7.846 0.659 0.368 0.00 0.00 +0.040 A ATOM 35 C LIG 1 -7.758 -0.485 1.156 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -8.743 -0.768 2.018 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -6.664 -1.341 1.063 0.00 0.00 +0.040 A ATOM 38 C LIG 1 -5.633 -1.049 0.169 0.00 0.00 +0.031 A ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 8