REMARK Name = LIG001704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.043 -1.785 0.122 0.00 0.00 +0.160 A ATOM 2 C LIG 1 1.345 -0.823 -0.839 0.00 0.00 +0.026 A ATOM 3 S LIG 1 -0.106 -0.245 -1.562 0.00 0.00 -0.056 S ATOM 4 C LIG 1 -1.007 -1.290 -0.567 0.00 0.00 +0.165 A ATOM 5 N LIG 1 -0.327 -2.039 0.255 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 -2.355 -1.219 -0.762 0.00 0.00 -0.263 N ATOM 7 H LIG 1 -2.685 -0.540 -1.445 0.00 0.00 +0.157 HD ATOM 8 C LIG 1 -3.258 -1.917 0.011 0.00 0.00 +0.239 C ATOM 9 O LIG 1 -3.012 -2.646 0.967 0.00 0.00 -0.273 OA BRANCH 8 10 ATOM 10 C LIG 1 -4.704 -1.677 -0.416 0.00 0.00 +0.222 C BRANCH 10 11 ATOM 11 N LIG 1 -5.144 -0.373 0.048 0.00 0.00 -0.290 N ATOM 12 C LIG 1 -4.835 0.741 -0.694 0.00 0.00 +0.255 A ATOM 13 O LIG 1 -4.138 0.714 -1.707 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -5.354 2.016 -0.177 0.00 0.00 +0.093 A ATOM 15 C LIG 1 -6.013 2.008 0.989 0.00 0.00 +0.045 A ATOM 16 C LIG 1 -6.560 3.275 1.583 0.00 0.00 +0.066 C ATOM 17 N LIG 1 -6.232 0.872 1.729 0.00 0.00 -0.242 NA ATOM 18 C LIG 1 -5.799 -0.244 1.245 0.00 0.00 +0.202 A ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 6 BRANCH 1 19 ATOM 19 C LIG 1 2.031 -2.493 0.950 0.00 0.00 +0.358 C ATOM 20 O LIG 1 3.238 -2.275 0.905 0.00 0.00 -0.243 OA BRANCH 19 22 ATOM 21 C LIG 1 2.377 -4.121 2.605 0.00 0.00 +0.280 C ATOM 22 O LIG 1 1.457 -3.415 1.777 0.00 0.00 -0.463 OA ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 2 23 ATOM 23 C LIG 1 2.671 -0.279 -1.285 0.00 0.00 +0.049 C BRANCH 23 24 ATOM 24 C LIG 1 3.167 0.831 -0.352 0.00 0.00 +0.040 C BRANCH 24 25 ATOM 25 C LIG 1 4.529 1.333 -0.763 0.00 0.00 -0.047 A ATOM 26 C LIG 1 5.683 0.651 -0.353 0.00 0.00 +0.003 A ATOM 27 C LIG 1 6.945 1.099 -0.746 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.064 2.229 -1.553 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.922 2.910 -1.970 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.659 2.464 -1.579 0.00 0.00 +0.003 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 8