REMARK Name = BDB048472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.059 -3.068 -0.613 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -1.383 -2.491 0.662 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -2.383 -3.300 1.189 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -3.010 -3.050 2.416 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -2.590 -1.923 3.132 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -1.573 -1.108 2.646 0.00 0.00 +0.049 A ATOM 7 N LIG 1 -2.565 -4.286 0.261 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -3.214 -5.063 0.308 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.975 -1.367 1.409 0.00 0.00 +0.036 A ATOM 10 N LIG 1 -1.800 -4.169 -0.834 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 1.808 -1.198 -2.233 0.00 0.00 +0.034 A ATOM 12 C LIG 1 0.989 -1.789 -1.269 0.00 0.00 +0.033 A ATOM 13 C LIG 1 -0.115 -2.576 -1.627 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -0.327 -2.849 -2.985 0.00 0.00 +0.010 A ATOM 15 C LIG 1 0.526 -2.321 -3.956 0.00 0.00 +0.002 A ATOM 16 C LIG 1 1.583 -1.490 -3.581 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 3.071 0.322 -0.696 0.00 0.00 +0.218 C ATOM 18 N LIG 1 2.846 -0.294 -1.919 0.00 0.00 -0.285 N ATOM 19 H LIG 1 3.380 0.053 -2.706 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 2.443 0.140 0.344 0.00 0.00 -0.275 OA BRANCH 17 21 ATOM 21 C LIG 1 4.254 1.276 -0.750 0.00 0.00 +0.105 C BRANCH 21 22 ATOM 22 C LIG 1 4.244 2.243 0.429 0.00 0.00 +0.105 C BRANCH 22 26 ATOM 23 N LIG 1 2.869 3.964 1.435 0.00 0.00 -0.329 N ATOM 24 H LIG 1 2.076 4.594 1.413 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 3.191 3.656 2.343 0.00 0.00 +0.145 HD ATOM 26 C LIG 1 3.118 3.247 0.303 0.00 0.00 +0.211 C ATOM 27 O LIG 1 2.493 3.457 -0.730 0.00 0.00 -0.276 OA ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 28 ATOM 28 N LIG 1 -1.172 0.051 3.371 0.00 0.00 -0.216 N ATOM 29 H LIG 1 -0.182 0.290 3.315 0.00 0.00 +0.174 HD BRANCH 28 30 ATOM 30 S LIG 1 -2.127 1.445 3.229 0.00 0.00 +0.072 S ATOM 31 O LIG 1 -3.472 1.144 3.671 0.00 0.00 -0.150 OA ATOM 32 O LIG 1 -1.363 2.522 3.826 0.00 0.00 -0.150 OA BRANCH 30 33 ATOM 33 C LIG 1 -2.161 1.735 1.474 0.00 0.00 +0.108 A ATOM 34 C LIG 1 -3.297 1.396 0.733 0.00 0.00 +0.029 A ATOM 35 C LIG 1 -3.296 1.598 -0.647 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -2.173 2.141 -1.275 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.048 2.493 -0.527 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -1.041 2.298 0.854 0.00 0.00 +0.029 A ENDBRANCH 30 33 ENDBRANCH 28 30 ENDBRANCH 6 28 TORSDOF 8