REMARK Name = LIG000893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.060 0.335 1.490 0.00 0.00 -0.339 N ATOM 2 H LIG 1 -2.418 -0.571 1.767 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 -6.337 -0.085 0.257 0.00 0.00 -0.282 N ATOM 4 C LIG 1 -6.531 1.286 0.138 0.00 0.00 +0.248 C ATOM 5 O LIG 1 -7.507 1.877 -0.287 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 -5.296 1.933 0.591 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.354 0.937 0.875 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.078 1.280 1.295 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -2.791 2.654 1.410 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -3.754 3.647 1.131 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -5.032 3.286 0.708 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -4.959 -0.405 0.614 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 -10.257 -2.399 -2.836 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -9.375 -2.002 -2.078 0.00 0.00 +0.219 C ATOM 15 N LIG 1 -8.152 -1.607 -2.557 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.039 -1.647 -3.560 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -7.059 -1.173 -1.843 0.00 0.00 +0.240 C ATOM 18 O LIG 1 -5.987 -0.963 -2.413 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 -7.230 -1.094 -0.315 0.00 0.00 +0.163 C ATOM 20 C LIG 1 -8.700 -0.902 0.059 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -9.541 -1.999 -0.577 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 -1.171 0.183 0.333 0.00 0.00 +0.139 C BRANCH 22 23 ATOM 23 C LIG 1 0.263 0.298 0.771 0.00 0.00 +0.005 A ATOM 24 C LIG 1 0.958 -0.814 1.263 0.00 0.00 +0.128 A ATOM 25 F LIG 1 0.346 -2.009 1.345 0.00 0.00 -0.205 F ATOM 26 C LIG 1 2.289 -0.718 1.673 0.00 0.00 +0.043 A ATOM 27 C LIG 1 2.966 0.511 1.598 0.00 0.00 -0.031 A ATOM 28 C LIG 1 2.262 1.636 1.136 0.00 0.00 +0.005 A ATOM 29 C LIG 1 0.926 1.535 0.723 0.00 0.00 +0.008 A BRANCH 27 30 ATOM 30 C LIG 1 4.409 0.634 2.042 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.490 0.437 1.075 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 5.327 1.126 -0.223 0.00 0.00 +0.105 C ATOM 33 C LIG 1 5.784 -0.172 -0.936 0.00 0.00 +0.085 C ATOM 34 C LIG 1 5.503 -0.882 0.412 0.00 0.00 +0.105 C BRANCH 33 35 ATOM 35 N LIG 1 7.205 -0.150 -1.352 0.00 0.00 -0.293 NA ATOM 36 C LIG 1 8.193 0.324 -0.370 0.00 0.00 +0.113 C ATOM 37 C LIG 1 9.621 0.061 -0.878 0.00 0.00 +0.175 C ATOM 38 O LIG 1 9.913 -1.323 -1.088 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 8.744 -2.138 -1.213 0.00 0.00 +0.175 C ATOM 40 C LIG 1 7.604 -1.432 -1.962 0.00 0.00 +0.113 C ENDBRANCH 33 35 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 7