REMARK Name = LIG000731 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.731 -0.511 -0.235 0.00 0.00 +0.072 A ATOM 2 N LIG 1 -1.187 0.744 -0.465 0.00 0.00 -0.243 NA ATOM 3 C LIG 1 -2.514 0.847 -0.703 0.00 0.00 +0.113 A ATOM 4 C LIG 1 -3.369 -0.239 -0.725 0.00 0.00 +0.089 A ATOM 5 N LIG 1 -4.607 0.280 -0.997 0.00 0.00 -0.275 N ATOM 6 H LIG 1 -5.476 -0.241 -1.056 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 -4.620 1.617 -1.172 0.00 0.00 -0.176 NA ATOM 8 C LIG 1 -2.935 -1.547 -0.493 0.00 0.00 -0.004 A ATOM 9 C LIG 1 -3.340 1.960 -0.974 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -1.554 -1.648 -0.256 0.00 0.00 +0.035 A ENDROOT BRANCH 1 17 ATOM 11 N LIG 1 5.271 0.367 -0.330 0.00 0.00 -0.282 N ATOM 12 C LIG 1 4.924 -0.625 0.570 0.00 0.00 +0.248 C ATOM 13 O LIG 1 5.645 -1.259 1.312 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.465 -0.764 0.505 0.00 0.00 +0.042 A ATOM 15 C LIG 1 2.978 0.193 -0.377 0.00 0.00 -0.017 A ATOM 16 C LIG 1 1.617 0.286 -0.623 0.00 0.00 +0.016 A ATOM 17 C LIG 1 0.727 -0.601 0.023 0.00 0.00 +0.001 A ATOM 18 C LIG 1 1.267 -1.555 0.928 0.00 0.00 +0.011 A ATOM 19 C LIG 1 2.642 -1.645 1.174 0.00 0.00 +0.014 A ATOM 20 C LIG 1 4.102 1.014 -0.910 0.00 0.00 +0.144 C BRANCH 11 27 ATOM 21 O LIG 1 9.711 -0.343 1.971 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 8.796 -0.001 1.225 0.00 0.00 +0.219 C ATOM 23 N LIG 1 8.105 1.159 1.459 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.358 1.649 2.306 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.033 1.668 0.772 0.00 0.00 +0.240 C ATOM 26 O LIG 1 6.423 2.650 1.199 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 6.606 0.932 -0.497 0.00 0.00 +0.163 C ATOM 28 C LIG 1 7.667 -0.028 -1.029 0.00 0.00 +0.041 C ATOM 29 C LIG 1 8.375 -0.836 0.043 0.00 0.00 +0.098 C ENDBRANCH 11 27 ENDBRANCH 1 17 BRANCH 9 30 ATOM 30 C LIG 1 -2.809 3.416 -1.074 0.00 0.00 +0.042 C ATOM 31 C LIG 1 -2.036 3.928 0.170 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -2.693 5.300 -0.080 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -3.840 4.536 -0.775 0.00 0.00 +0.010 C ENDBRANCH 9 30 BRANCH 8 34 ATOM 34 C LIG 1 -3.817 -2.769 -0.571 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 N LIG 1 -5.198 -2.511 -0.142 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -6.084 -3.632 -0.471 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -7.318 -3.355 0.375 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.818 -2.512 1.543 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.321 -2.367 1.315 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 5