REMARK Name = BDB061579 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.113 1.175 0.004 0.00 0.00 +0.094 A ATOM 2 C LIG 1 0.376 1.462 1.267 0.00 0.00 +0.110 A ATOM 3 C LIG 1 1.665 1.969 1.308 0.00 0.00 +0.127 A ATOM 4 N LIG 1 2.429 2.135 0.207 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 1.867 1.829 -0.967 0.00 0.00 +0.190 A ATOM 6 N LIG 1 0.625 1.360 -1.114 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -3.873 0.710 -0.102 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -3.970 -0.505 -0.790 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -2.816 -1.198 -1.185 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -1.565 -0.630 -0.923 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -1.447 0.606 -0.255 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -2.618 1.276 0.135 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -5.055 1.704 1.641 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -5.031 1.350 0.259 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -5.209 -1.064 -1.000 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -5.722 -0.632 -2.259 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -3.012 -2.395 -1.825 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -1.869 -3.215 -2.025 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -0.379 1.206 2.451 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -0.977 0.993 3.423 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 2.493 2.412 2.832 0.00 0.00 -0.027 S BRANCH 21 22 ATOM 22 C LIG 1 1.723 3.935 3.103 0.00 0.00 +0.215 A ATOM 23 N LIG 1 2.101 4.814 4.075 0.00 0.00 -0.223 N ATOM 24 C LIG 1 3.161 4.724 5.039 0.00 0.00 +0.177 C ATOM 25 N LIG 1 1.298 5.891 4.039 0.00 0.00 -0.043 NA ATOM 26 N LIG 1 0.445 5.657 3.050 0.00 0.00 -0.022 NA ATOM 27 N LIG 1 0.694 4.441 2.461 0.00 0.00 -0.101 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 28 ATOM 28 S LIG 1 2.853 1.988 -2.424 0.00 0.00 -0.081 S BRANCH 28 29 ATOM 29 C LIG 1 4.047 0.664 -2.081 0.00 0.00 +0.112 C BRANCH 29 30 ATOM 30 C LIG 1 3.418 -0.707 -2.022 0.00 0.00 -0.037 A ATOM 31 C LIG 1 3.209 -1.344 -0.788 0.00 0.00 +0.013 A ATOM 32 C LIG 1 2.592 -2.604 -0.713 0.00 0.00 -0.018 A ATOM 33 C LIG 1 2.189 -3.249 -1.904 0.00 0.00 -0.018 A ATOM 34 C LIG 1 1.582 -4.513 -1.831 0.00 0.00 +0.008 A ATOM 35 C LIG 1 1.366 -5.129 -0.597 0.00 0.00 +0.001 A ATOM 36 C LIG 1 1.756 -4.491 0.577 0.00 0.00 +0.001 A ATOM 37 C LIG 1 2.402 -2.611 -3.135 0.00 0.00 +0.009 A ATOM 38 C LIG 1 2.368 -3.238 0.520 0.00 0.00 +0.008 A ATOM 39 C LIG 1 3.006 -1.354 -3.193 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 10