REMARK Name = BDB036570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.188 -1.066 0.304 0.00 0.00 +0.078 A ATOM 2 C LIG 1 -2.764 -2.204 -0.436 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -1.620 -2.165 -1.253 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -0.896 -0.961 -1.332 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -1.335 0.126 -0.601 0.00 0.00 +0.171 A ATOM 6 O LIG 1 -0.496 1.174 -0.809 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 0.507 0.796 -1.682 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 0.265 -0.479 -1.994 0.00 0.00 +0.188 A ATOM 9 C LIG 1 -2.459 0.129 0.220 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -4.373 -1.180 1.071 0.00 0.00 -0.295 N ATOM 11 H LIG 1 -4.582 -2.158 1.264 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 C LIG 1 -6.374 1.531 2.157 0.00 0.00 +0.038 A ATOM 13 N LIG 1 -6.748 0.449 2.902 0.00 0.00 -0.280 N ATOM 14 H LIG 1 -7.459 0.401 3.624 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 -6.083 -0.673 2.594 0.00 0.00 -0.158 NA ATOM 16 C LIG 1 -5.215 -0.302 1.649 0.00 0.00 +0.145 A ATOM 17 C LIG 1 -5.381 1.064 1.322 0.00 0.00 +0.068 A BRANCH 12 19 ATOM 18 C LIG 1 -8.223 3.020 1.414 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -7.001 2.870 2.307 0.00 0.00 +0.051 C ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 -3.548 -3.325 -0.263 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 -3.281 -4.448 -1.092 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 1.056 -1.245 -2.836 0.00 0.00 -0.196 N ATOM 23 H LIG 1 0.844 -2.223 -3.001 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 2.370 -0.681 -3.691 0.00 0.00 +0.074 S ATOM 25 O LIG 1 2.011 0.521 -4.410 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 2.883 -1.837 -4.403 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 3.553 -0.283 -2.429 0.00 0.00 +0.109 A ATOM 28 C LIG 1 3.763 1.047 -2.064 0.00 0.00 +0.029 A ATOM 29 C LIG 1 4.716 1.352 -1.089 0.00 0.00 +0.010 A ATOM 30 C LIG 1 5.479 0.342 -0.476 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.260 -0.989 -0.875 0.00 0.00 +0.010 A ATOM 32 C LIG 1 4.309 -1.305 -1.849 0.00 0.00 +0.029 A BRANCH 30 33 ATOM 33 C LIG 1 6.482 0.668 0.550 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.498 1.606 0.296 0.00 0.00 +0.008 A ATOM 35 C LIG 1 8.452 1.915 1.269 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.406 1.293 2.514 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.408 0.362 2.787 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.455 0.052 1.812 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 8