REMARK Name = LIG001822 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.473 -0.002 1.325 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.255 -0.503 1.760 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.051 -1.303 2.652 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.219 0.127 0.934 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.848 0.932 -0.013 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.098 1.650 -0.931 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -0.694 1.551 -0.887 0.00 0.00 -0.012 A ATOM 8 C LIG 1 -0.085 0.724 0.087 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.848 -0.000 1.009 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.330 0.839 0.143 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -9.740 -1.512 1.403 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.549 -1.279 1.589 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.577 -2.022 0.971 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.924 -2.697 0.302 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.276 -1.624 0.759 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.630 -2.091 -0.176 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.742 -0.578 1.753 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.816 0.481 1.981 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -8.075 -0.184 2.516 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 0.110 2.314 -1.832 0.00 0.00 +0.046 A ATOM 21 C LIG 1 1.317 1.916 -2.381 0.00 0.00 +0.165 A ATOM 22 N LIG 1 1.718 2.951 -3.231 0.00 0.00 -0.221 N ATOM 23 C LIG 1 2.908 2.863 -3.939 0.00 0.00 +0.118 A ATOM 24 C LIG 1 3.691 1.784 -3.814 0.00 0.00 +0.063 A ATOM 25 C LIG 1 3.208 0.711 -2.882 0.00 0.00 +0.123 A ATOM 26 N LIG 1 0.827 3.972 -3.248 0.00 0.00 -0.173 NA ATOM 27 N LIG 1 2.076 0.785 -2.227 0.00 0.00 -0.213 NA ATOM 28 C LIG 1 -0.133 3.579 -2.410 0.00 0.00 +0.145 A BRANCH 25 29 ATOM 29 N LIG 1 3.948 -0.431 -2.687 0.00 0.00 -0.328 N ATOM 30 H LIG 1 3.429 -1.031 -2.037 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 5.332 -0.365 -2.217 0.00 0.00 +0.118 C BRANCH 31 32 ATOM 32 C LIG 1 5.365 -0.249 -0.675 0.00 0.00 +0.103 C BRANCH 32 33 ATOM 33 N LIG 1 4.535 -1.278 -0.012 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 4.238 -0.915 1.393 0.00 0.00 +0.112 C ATOM 35 C LIG 1 5.434 -1.081 2.344 0.00 0.00 +0.175 C ATOM 36 O LIG 1 5.950 -2.417 2.302 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 6.329 -2.778 0.969 0.00 0.00 +0.175 C ATOM 38 C LIG 1 5.157 -2.621 -0.016 0.00 0.00 +0.112 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 7 20 TORSDOF 6