REMARK Name = BDB013563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.315 -1.344 -0.450 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.866 -1.835 0.790 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.724 -2.700 1.672 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.428 -1.505 1.221 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.271 -0.703 0.446 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.849 -0.208 -0.788 0.00 0.00 -0.043 A ATOM 7 C LIG 1 -0.439 -0.561 -1.229 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.693 -1.656 -1.007 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.578 0.459 0.473 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -5.928 0.477 -0.028 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -6.377 -0.771 -0.348 0.00 0.00 +0.150 A ATOM 12 C LIG 1 -5.934 -1.483 -1.452 0.00 0.00 +0.165 A ATOM 13 C LIG 1 -6.476 -2.733 -1.691 0.00 0.00 +0.143 A ATOM 14 N LIG 1 -7.419 -3.299 -0.897 0.00 0.00 -0.261 NA ATOM 15 C LIG 1 -7.857 -2.567 0.150 0.00 0.00 +0.114 A ATOM 16 S LIG 1 -4.745 -0.840 -2.563 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -4.341 -1.921 -3.440 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -5.270 0.392 -3.108 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -3.412 -0.482 -1.569 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -7.375 -1.308 0.459 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -3.572 0.697 -0.664 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.755 2.962 1.059 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.478 1.548 1.557 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 1.692 0.706 -1.670 0.00 0.00 +0.030 C BRANCH 24 25 ATOM 25 C LIG 1 1.102 2.125 -1.805 0.00 0.00 +0.128 C BRANCH 25 26 ATOM 26 C LIG 1 0.476 2.700 -0.561 0.00 0.00 +0.305 C ATOM 27 O LIG 1 -0.719 2.823 -0.345 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 1.372 3.130 0.344 0.00 0.00 -0.481 OA ATOM 29 H LIG 1 0.819 3.501 1.063 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 3.227 0.663 -1.459 0.00 0.00 +0.015 C BRANCH 30 31 ATOM 31 C LIG 1 3.817 1.571 -0.377 0.00 0.00 +0.059 C BRANCH 31 32 ATOM 32 C LIG 1 5.274 1.335 -0.199 0.00 0.00 +0.083 A ATOM 33 N LIG 1 6.196 2.030 -0.936 0.00 0.00 -0.135 NA ATOM 34 N LIG 1 7.405 1.620 -0.580 0.00 0.00 -0.065 NA ATOM 35 N LIG 1 7.252 0.677 0.366 0.00 0.00 -0.249 N ATOM 36 C LIG 1 5.933 0.463 0.640 0.00 0.00 +0.133 A BRANCH 35 37 ATOM 37 C LIG 1 8.418 0.029 0.945 0.00 0.00 +0.103 C ATOM 38 C LIG 1 8.478 -1.450 0.564 0.00 0.00 +0.032 C ATOM 39 C LIG 1 8.475 0.214 2.461 0.00 0.00 +0.032 C ENDBRANCH 35 37 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 6 24 TORSDOF 11