REMARK Name = BDB059235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.230 -0.249 -1.015 0.00 0.00 +0.259 C ATOM 2 N LIG 1 1.351 -0.542 -0.255 0.00 0.00 -0.228 N ATOM 3 H LIG 1 1.290 -0.449 0.762 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 0.312 0.174 -2.165 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -2.509 -1.522 1.275 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -3.583 -0.741 0.832 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -3.446 0.191 -0.213 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.172 0.325 -0.792 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.086 -0.441 -0.349 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -1.258 -1.377 0.679 0.00 0.00 +0.058 A BRANCH 7 11 ATOM 11 C LIG 1 -4.578 1.013 -0.685 0.00 0.00 +0.071 A ATOM 12 N LIG 1 -4.255 2.257 -1.123 0.00 0.00 -0.255 NA ATOM 13 C LIG 1 -5.253 3.054 -1.566 0.00 0.00 +0.111 A ATOM 14 C LIG 1 -6.582 2.674 -1.601 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.908 1.400 -1.159 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.897 0.558 -0.697 0.00 0.00 +0.028 A ENDBRANCH 7 11 BRANCH 5 18 ATOM 17 C LIG 1 -1.762 -3.180 2.816 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -2.820 -2.388 2.289 0.00 0.00 -0.495 OA ENDBRANCH 5 18 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 N LIG 1 2.684 -0.037 -0.839 0.00 0.00 -0.108 NA ATOM 20 H LIG 1 2.536 0.351 -1.786 0.00 0.00 +0.172 HD BRANCH 19 21 ATOM 21 S LIG 1 3.451 1.148 0.128 0.00 0.00 +0.076 S ATOM 22 O LIG 1 2.801 1.157 1.423 0.00 0.00 -0.152 OA ATOM 23 O LIG 1 3.540 2.342 -0.684 0.00 0.00 -0.152 OA BRANCH 21 24 ATOM 24 C LIG 1 5.066 0.481 0.313 0.00 0.00 +0.142 A ATOM 25 C LIG 1 5.226 -0.707 1.014 0.00 0.00 +0.150 A ATOM 26 F LIG 1 4.174 -1.360 1.529 0.00 0.00 -0.203 F ATOM 27 C LIG 1 6.495 -1.252 1.186 0.00 0.00 +0.040 A ATOM 28 C LIG 1 7.609 -0.598 0.656 0.00 0.00 +0.003 A ATOM 29 C LIG 1 7.449 0.599 -0.045 0.00 0.00 +0.002 A ATOM 30 C LIG 1 6.176 1.145 -0.218 0.00 0.00 +0.031 A ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 6