REMARK Name = LIG000624 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.174 -0.542 1.228 0.00 0.00 -0.299 N ATOM 2 H LIG 1 1.891 -1.128 1.633 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 5.004 0.165 -0.844 0.00 0.00 -0.282 N ATOM 4 C LIG 1 4.434 0.354 -2.092 0.00 0.00 +0.248 C ATOM 5 O LIG 1 5.001 0.561 -3.148 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 2.982 0.260 -1.914 0.00 0.00 +0.043 A ATOM 7 C LIG 1 2.719 -0.069 -0.580 0.00 0.00 +0.003 A ATOM 8 C LIG 1 1.413 -0.233 -0.124 0.00 0.00 +0.038 A ATOM 9 C LIG 1 0.398 -0.002 -1.068 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.677 0.329 -2.412 0.00 0.00 +0.003 A ATOM 11 C LIG 1 1.990 0.457 -2.851 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.012 -0.181 0.163 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 9.809 -1.329 1.302 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 8.873 -0.902 0.633 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.126 -1.740 -0.155 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.364 -2.719 -0.060 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.828 -1.506 -0.547 0.00 0.00 +0.240 C ATOM 18 O LIG 1 6.064 -2.446 -0.755 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.439 -0.023 -0.664 0.00 0.00 +0.163 C ATOM 20 C LIG 1 6.976 0.725 0.552 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.487 0.559 0.620 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 -0.010 -0.441 1.943 0.00 0.00 +0.122 C ATOM 23 C LIG 1 -0.076 -1.225 3.223 0.00 0.00 +0.058 C ATOM 24 C LIG 1 -1.257 -1.287 3.837 0.00 0.00 +0.072 C ATOM 25 N LIG 1 -2.356 -0.653 3.342 0.00 0.00 -0.325 N ATOM 26 H LIG 1 -3.140 -0.526 3.973 0.00 0.00 +0.148 HD ATOM 27 C LIG 1 -2.193 0.398 2.355 0.00 0.00 +0.221 C ATOM 28 N LIG 1 -0.981 0.316 1.541 0.00 0.00 -0.242 NA BRANCH 27 29 ATOM 29 C LIG 1 -3.429 0.423 1.471 0.00 0.00 -0.006 A ATOM 30 C LIG 1 -4.257 1.553 1.421 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -5.391 1.570 0.602 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -5.731 0.464 -0.194 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -4.896 -0.663 -0.143 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -3.762 -0.683 0.675 0.00 0.00 +0.008 A BRANCH 32 35 ATOM 35 C LIG 1 -6.923 0.486 -1.057 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -6.830 0.197 -2.428 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -7.960 0.219 -3.249 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.206 0.531 -2.711 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -9.322 0.821 -1.354 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -8.190 0.799 -0.535 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 1 22 TORSDOF 5