REMARK Name = LIG001634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.974 -0.052 -0.599 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.075 0.438 0.361 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.283 0.346 0.114 0.00 0.00 -0.015 A ATOM 4 C LIG 1 2.439 0.761 0.958 0.00 0.00 +0.144 C ATOM 5 N LIG 1 3.581 0.478 0.099 0.00 0.00 -0.282 N ATOM 6 C LIG 1 3.206 -0.196 -1.054 0.00 0.00 +0.248 C ATOM 7 O LIG 1 3.916 -0.693 -1.906 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.739 -0.229 -1.067 0.00 0.00 +0.042 A ATOM 9 C LIG 1 0.884 -0.730 -2.029 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -0.491 -0.637 -1.785 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 4.947 0.537 0.609 0.00 0.00 +0.163 C ATOM 12 C LIG 1 5.368 -0.805 1.227 0.00 0.00 +0.240 C ATOM 13 O LIG 1 4.583 -1.575 1.778 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 6.720 -1.063 1.244 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.998 -1.931 1.681 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.740 -0.239 0.839 0.00 0.00 +0.219 C ATOM 17 O LIG 1 8.914 -0.540 1.042 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.343 1.082 0.225 0.00 0.00 +0.098 C ATOM 19 C LIG 1 5.972 0.998 -0.427 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 O LIG 1 -2.288 0.090 -0.247 0.00 0.00 -0.488 OA BRANCH 20 23 ATOM 21 N LIG 1 -5.552 -0.087 0.031 0.00 0.00 -0.299 NA ATOM 22 C LIG 1 -4.575 0.575 -0.856 0.00 0.00 +0.128 C ATOM 23 C LIG 1 -3.316 -0.276 -1.183 0.00 0.00 +0.187 C ATOM 24 C LIG 1 -3.642 -1.765 -1.054 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -4.193 -2.109 0.336 0.00 0.00 +0.019 C ATOM 26 C LIG 1 -4.897 -0.934 1.024 0.00 0.00 +0.084 C BRANCH 21 28 ATOM 27 C LIG 1 -6.048 1.788 1.678 0.00 0.00 +0.020 C ATOM 28 C LIG 1 -6.541 0.836 0.591 0.00 0.00 +0.081 C ENDBRANCH 21 28 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 4