REMARK Name = LIG000342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.302 1.064 0.170 0.00 0.00 +0.236 A ATOM 2 N LIG 1 0.047 0.627 0.310 0.00 0.00 -0.198 NA ATOM 3 C LIG 1 -0.813 0.928 -0.680 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.409 1.649 -1.784 0.00 0.00 +0.063 A ATOM 5 C LIG 1 0.920 2.002 -1.842 0.00 0.00 +0.118 A ATOM 6 N LIG 1 1.807 1.691 -0.888 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 2.163 0.572 1.143 0.00 0.00 -0.184 N ATOM 8 H LIG 1 1.692 0.083 1.894 0.00 0.00 +0.177 HD BRANCH 7 9 ATOM 9 S LIG 1 3.400 1.556 1.650 0.00 0.00 +0.075 S ATOM 10 O LIG 1 3.923 0.946 2.857 0.00 0.00 -0.150 OA ATOM 11 O LIG 1 2.963 2.936 1.668 0.00 0.00 -0.150 OA BRANCH 9 14 ATOM 12 C LIG 1 6.327 -0.031 -0.624 0.00 0.00 +0.123 A ATOM 13 C LIG 1 5.312 0.121 0.315 0.00 0.00 +0.074 A ATOM 14 C LIG 1 4.648 1.348 0.407 0.00 0.00 +0.112 A ATOM 15 C LIG 1 4.984 2.411 -0.437 0.00 0.00 +0.029 A ATOM 16 C LIG 1 5.971 2.231 -1.405 0.00 0.00 +0.005 A ATOM 17 C LIG 1 6.632 1.005 -1.508 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 6.943 -1.241 -0.771 0.00 0.00 -0.486 OA BRANCH 18 20 ATOM 19 C LIG 1 7.813 -1.524 1.534 0.00 0.00 +0.055 C ATOM 20 C LIG 1 8.125 -1.472 0.031 0.00 0.00 +0.102 C ATOM 21 C LIG 1 9.246 -0.462 -0.256 0.00 0.00 +0.055 C ATOM 22 C LIG 1 8.613 -2.865 -0.405 0.00 0.00 +0.055 C ENDBRANCH 18 20 ENDBRANCH 12 18 ENDBRANCH 9 14 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 N LIG 1 -2.120 0.488 -0.481 0.00 0.00 -0.299 N ATOM 24 H LIG 1 -2.220 0.139 0.475 0.00 0.00 +0.154 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.217 0.212 -1.305 0.00 0.00 +0.045 A ATOM 26 C LIG 1 -4.486 0.062 -0.755 0.00 0.00 +0.071 A ATOM 27 C LIG 1 -4.911 0.053 0.646 0.00 0.00 +0.256 C ATOM 28 N LIG 1 -6.271 -0.099 0.654 0.00 0.00 -0.222 N ATOM 29 C LIG 1 -6.759 -0.252 -0.612 0.00 0.00 +0.255 C ATOM 30 O LIG 1 -7.905 -0.439 -0.970 0.00 0.00 -0.270 OA ATOM 31 O LIG 1 -4.143 0.110 1.589 0.00 0.00 -0.269 OA ATOM 32 C LIG 1 -5.622 -0.142 -1.521 0.00 0.00 +0.051 A ATOM 33 C LIG 1 -5.575 -0.218 -2.896 0.00 0.00 +0.014 A ATOM 34 C LIG 1 -4.321 -0.085 -3.490 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -3.163 0.129 -2.704 0.00 0.00 +0.024 A BRANCH 28 36 ATOM 36 C LIG 1 -7.061 -0.163 1.876 0.00 0.00 +0.171 C ATOM 37 C LIG 1 -8.152 0.904 1.829 0.00 0.00 +0.240 C ATOM 38 O LIG 1 -7.908 2.094 1.630 0.00 0.00 -0.273 OA ATOM 39 N LIG 1 -9.447 0.472 1.969 0.00 0.00 -0.255 N ATOM 40 H LIG 1 -10.152 1.196 1.921 0.00 0.00 +0.158 HD ATOM 41 C LIG 1 -9.923 -0.795 1.750 0.00 0.00 +0.219 C ATOM 42 O LIG 1 -11.129 -1.001 1.642 0.00 0.00 -0.275 OA ATOM 43 C LIG 1 -8.905 -1.897 1.591 0.00 0.00 +0.098 C ATOM 44 C LIG 1 -7.577 -1.553 2.240 0.00 0.00 +0.041 C ENDBRANCH 28 36 ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 8