REMARK Name = LIG001613 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.442 -1.225 -0.862 0.00 0.00 +0.069 A ATOM 2 N LIG 1 -1.304 -0.415 -1.558 0.00 0.00 -0.325 N ATOM 3 C LIG 1 -1.132 0.979 -1.917 0.00 0.00 +0.139 C ATOM 4 C LIG 1 -2.245 1.471 -2.861 0.00 0.00 +0.107 C ATOM 5 N LIG 1 -3.598 0.971 -2.537 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -3.590 -0.511 -2.575 0.00 0.00 +0.159 C ATOM 7 C LIG 1 -2.441 -1.131 -1.842 0.00 0.00 +0.124 A ATOM 8 N LIG 1 -2.332 -2.370 -1.408 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 -1.099 -2.440 -0.810 0.00 0.00 +0.139 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.442 -0.432 0.106 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.676 0.204 1.067 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.048 0.829 2.039 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.271 -0.043 0.724 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.239 -0.884 -0.386 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.028 -1.288 -0.923 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.846 -0.822 -0.325 0.00 0.00 +0.000 A ATOM 17 C LIG 1 0.901 0.021 0.808 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.127 0.420 1.345 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.628 -1.237 -0.795 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 9.102 0.686 3.446 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.438 0.350 2.468 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.063 -0.957 2.299 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.309 -1.577 3.058 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.295 -1.503 1.304 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.919 -2.674 1.373 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.893 -0.587 0.148 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.700 0.707 0.084 0.00 0.00 +0.041 C ATOM 28 C LIG 1 7.981 1.345 1.432 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -4.072 1.510 -1.246 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 -5.512 1.159 -0.908 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -5.871 0.560 0.324 0.00 0.00 -0.013 A ATOM 32 C LIG 1 -7.227 0.280 0.573 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -8.212 0.588 -0.366 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.859 1.185 -1.571 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.522 1.472 -1.839 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 C LIG 1 -4.878 0.226 1.353 0.00 0.00 -0.015 A ATOM 37 C LIG 1 -4.173 -0.979 1.307 0.00 0.00 +0.028 A ATOM 38 C LIG 1 -3.200 -1.220 2.264 0.00 0.00 +0.111 A ATOM 39 N LIG 1 -2.896 -0.358 3.258 0.00 0.00 -0.263 NA ATOM 40 C LIG 1 -3.608 0.787 3.305 0.00 0.00 +0.111 A ATOM 41 C LIG 1 -4.592 1.121 2.389 0.00 0.00 +0.028 A ENDBRANCH 31 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 5