REMARK Name = LIG000928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.687 1.691 1.009 0.00 0.00 +0.110 A ATOM 2 C LIG 1 0.677 1.571 0.049 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -0.526 1.053 0.482 0.00 0.00 +0.043 A ATOM 4 C LIG 1 -1.740 0.777 -0.292 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -2.684 0.293 0.599 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -2.150 0.143 1.948 0.00 0.00 +0.144 C ATOM 7 O LIG 1 -1.847 0.916 -1.495 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.758 0.668 1.804 0.00 0.00 -0.018 A ATOM 9 C LIG 1 0.238 0.798 2.757 0.00 0.00 +0.008 A ATOM 10 C LIG 1 1.473 1.317 2.353 0.00 0.00 +0.029 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -3.955 -0.273 0.158 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.106 -0.156 1.171 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.121 0.629 2.117 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.186 -0.980 0.947 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.939 -0.901 1.618 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.228 -2.092 0.145 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -7.167 -2.880 0.206 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -5.087 -2.267 -0.827 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -3.785 -1.739 -0.248 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 S LIG 1 3.259 2.357 0.512 0.00 0.00 +0.082 S ATOM 21 O LIG 1 4.138 2.378 1.663 0.00 0.00 -0.149 OA ATOM 22 O LIG 1 2.952 3.592 -0.190 0.00 0.00 -0.149 OA BRANCH 20 28 ATOM 23 C LIG 1 4.851 -0.511 -2.528 0.00 0.00 +0.165 C ATOM 24 N LIG 1 4.582 -0.944 -1.212 0.00 0.00 -0.279 N ATOM 25 H LIG 1 4.541 -1.927 -1.007 0.00 0.00 +0.152 HD ATOM 26 C LIG 1 3.910 -0.151 -0.328 0.00 0.00 +0.327 C ATOM 27 O LIG 1 3.387 -0.668 0.653 0.00 0.00 -0.251 OA ATOM 28 N LIG 1 3.853 1.231 -0.604 0.00 0.00 -0.131 N ATOM 29 C LIG 1 4.742 1.772 -1.580 0.00 0.00 +0.104 C ATOM 30 C LIG 1 5.209 0.925 -2.501 0.00 0.00 +0.028 C BRANCH 23 31 ATOM 31 N LIG 1 5.945 -1.335 -2.962 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 6.173 -1.109 -3.928 0.00 0.00 +0.120 HD ATOM 33 H LIG 1 5.649 -2.307 -2.973 0.00 0.00 +0.120 HD ENDBRANCH 23 31 ENDBRANCH 20 28 ENDBRANCH 1 20 TORSDOF 4