REMARK Name = BDB059338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.510 1.552 0.817 0.00 0.00 +0.259 C ATOM 2 N LIG 1 1.328 0.700 0.099 0.00 0.00 -0.228 N ATOM 3 H LIG 1 0.970 -0.057 -0.480 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 0.949 2.283 1.702 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.008 2.821 0.379 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -3.648 1.708 -0.173 0.00 0.00 +0.057 A ATOM 7 C LIG 1 -2.959 0.499 -0.409 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -1.589 0.453 -0.075 0.00 0.00 +0.025 A ATOM 9 C LIG 1 -0.933 1.568 0.460 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -1.653 2.743 0.696 0.00 0.00 +0.058 A BRANCH 7 11 ATOM 11 C LIG 1 -3.646 -0.677 -0.981 0.00 0.00 +0.160 A ATOM 12 N LIG 1 -2.903 -1.773 -1.238 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -3.552 -2.834 -1.754 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -4.898 -2.842 -2.025 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -5.566 -1.678 -1.734 0.00 0.00 +0.114 A ATOM 16 N LIG 1 -4.970 -0.587 -1.217 0.00 0.00 -0.236 NA ENDBRANCH 7 11 BRANCH 5 18 ATOM 17 C LIG 1 -4.982 4.151 0.391 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -3.588 4.030 0.649 0.00 0.00 -0.495 OA ENDBRANCH 5 18 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 N LIG 1 2.729 0.464 0.678 0.00 0.00 -0.108 NA ATOM 20 H LIG 1 2.879 1.083 1.494 0.00 0.00 +0.172 HD BRANCH 19 21 ATOM 21 S LIG 1 3.005 -1.152 1.170 0.00 0.00 +0.076 S ATOM 22 O LIG 1 2.158 -1.980 0.330 0.00 0.00 -0.152 OA ATOM 23 O LIG 1 2.923 -1.212 2.611 0.00 0.00 -0.152 OA BRANCH 21 24 ATOM 24 C LIG 1 4.674 -1.412 0.691 0.00 0.00 +0.142 A ATOM 25 C LIG 1 5.656 -0.580 1.210 0.00 0.00 +0.150 A ATOM 26 F LIG 1 5.346 0.419 2.048 0.00 0.00 -0.203 F ATOM 27 C LIG 1 6.990 -0.764 0.856 0.00 0.00 +0.040 A ATOM 28 C LIG 1 7.338 -1.791 -0.024 0.00 0.00 +0.003 A ATOM 29 C LIG 1 6.350 -2.629 -0.547 0.00 0.00 +0.002 A ATOM 30 C LIG 1 5.013 -2.443 -0.191 0.00 0.00 +0.031 A ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 6