REMARK Name = LIG000769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.520 1.556 -1.522 0.00 0.00 +0.191 A ATOM 2 N LIG 1 -3.445 0.598 -1.377 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 -2.981 -0.498 -0.746 0.00 0.00 +0.118 A ATOM 4 C LIG 1 -1.676 -0.620 -0.314 0.00 0.00 +0.124 A ATOM 5 N LIG 1 -1.611 -1.839 0.292 0.00 0.00 -0.272 N ATOM 6 H LIG 1 -0.814 -2.254 0.762 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 -2.760 -2.541 0.246 0.00 0.00 -0.176 NA ATOM 8 C LIG 1 -0.761 0.397 -0.517 0.00 0.00 +0.149 A ATOM 9 C LIG 1 -3.613 -1.713 -0.380 0.00 0.00 +0.092 A ATOM 10 N LIG 1 -1.230 1.505 -1.129 0.00 0.00 -0.205 NA ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -5.039 -2.100 -0.627 0.00 0.00 +0.042 C ATOM 12 C LIG 1 -5.773 -2.592 0.634 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -6.033 -4.074 0.399 0.00 0.00 +0.001 C ATOM 14 C LIG 1 -6.250 -4.157 -1.101 0.00 0.00 +0.001 C ATOM 15 C LIG 1 -5.176 -3.234 -1.660 0.00 0.00 +0.010 C ENDBRANCH 9 11 BRANCH 8 16 ATOM 16 N LIG 1 0.560 0.305 -0.101 0.00 0.00 -0.323 N ATOM 17 H LIG 1 0.936 -0.635 -0.130 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 1.464 1.302 -0.653 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 C LIG 1 2.869 0.998 -0.186 0.00 0.00 -0.030 A ATOM 20 C LIG 1 3.821 0.470 -1.065 0.00 0.00 +0.006 A ATOM 21 C LIG 1 5.115 0.173 -0.619 0.00 0.00 +0.010 A ATOM 22 C LIG 1 5.499 0.389 0.717 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.524 0.905 1.590 0.00 0.00 +0.010 A ATOM 24 C LIG 1 3.232 1.207 1.149 0.00 0.00 +0.006 A BRANCH 22 25 ATOM 25 C LIG 1 6.860 0.082 1.205 0.00 0.00 +0.071 A ATOM 26 N LIG 1 6.943 -0.335 2.495 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 8.166 -0.631 2.989 0.00 0.00 +0.111 A ATOM 28 C LIG 1 9.336 -0.528 2.260 0.00 0.00 +0.020 A ATOM 29 C LIG 1 9.249 -0.093 0.945 0.00 0.00 +0.004 A ATOM 30 C LIG 1 7.999 0.216 0.410 0.00 0.00 +0.028 A ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 8 16 BRANCH 1 31 ATOM 31 S LIG 1 -3.063 3.043 -2.333 0.00 0.00 -0.085 S BRANCH 31 32 ATOM 32 C LIG 1 -2.264 4.285 -1.257 0.00 0.00 +0.092 C BRANCH 32 33 ATOM 33 C LIG 1 -2.793 4.290 0.185 0.00 0.00 +0.089 C BRANCH 33 34 ATOM 34 N LIG 1 -4.242 4.474 0.287 0.00 0.00 -0.329 NA ATOM 35 H LIG 1 -4.516 5.319 -0.214 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 -4.702 3.709 -0.213 0.00 0.00 +0.118 HD ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 9