REMARK Name = BDB032964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.714 -0.255 -0.010 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -0.888 -1.290 -0.476 0.00 0.00 +0.047 A ATOM 3 C LIG 1 0.503 -1.256 -0.303 0.00 0.00 +0.047 A ATOM 4 C LIG 1 1.078 -0.132 0.335 0.00 0.00 +0.058 A ATOM 5 C LIG 1 0.248 0.886 0.831 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -1.137 0.824 0.653 0.00 0.00 +0.024 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.343 -2.313 -0.737 0.00 0.00 -0.285 N ATOM 8 H LIG 1 2.323 -2.222 -0.451 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 1.000 -3.469 -1.407 0.00 0.00 +0.214 C ATOM 10 O LIG 1 -0.119 -3.787 -1.796 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 2.183 -4.380 -1.621 0.00 0.00 +0.109 C ENDBRANCH 3 7 BRANCH 1 13 ATOM 12 C LIG 1 -4.104 0.504 0.097 0.00 0.00 +0.217 C ATOM 13 N LIG 1 -3.100 -0.391 -0.237 0.00 0.00 -0.285 N ATOM 14 H LIG 1 -3.388 -1.238 -0.714 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -3.951 1.597 0.631 0.00 0.00 -0.275 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.474 -0.021 -0.313 0.00 0.00 +0.096 C BRANCH 16 18 ATOM 17 C LIG 1 -6.893 0.694 1.664 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -6.637 0.843 0.171 0.00 0.00 +0.006 C ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 4 19 ATOM 19 C LIG 1 2.565 -0.022 0.488 0.00 0.00 +0.251 C ATOM 20 N LIG 1 3.069 1.259 0.448 0.00 0.00 -0.261 N ATOM 21 H LIG 1 2.478 2.051 0.246 0.00 0.00 +0.157 HD ATOM 22 O LIG 1 3.216 -1.058 0.578 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 4.406 1.519 0.576 0.00 0.00 +0.167 A ATOM 24 S LIG 1 4.808 3.174 0.418 0.00 0.00 -0.028 S ATOM 25 C LIG 1 6.441 2.765 0.669 0.00 0.00 +0.185 A ATOM 26 C LIG 1 6.583 1.411 0.857 0.00 0.00 +0.153 A ATOM 27 N LIG 1 5.399 0.696 0.803 0.00 0.00 -0.231 NA BRANCH 25 28 ATOM 28 N LIG 1 7.475 3.748 0.671 0.00 0.00 +0.065 N ATOM 29 O LIG 1 8.625 3.335 0.861 0.00 0.00 -0.126 OA ATOM 30 O LIG 1 7.156 4.929 0.486 0.00 0.00 -0.126 OA ENDBRANCH 25 28 ENDBRANCH 20 23 ENDBRANCH 4 19 TORSDOF 7