REMARK Name = LIG000102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.037 0.609 0.290 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.288 1.594 0.919 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.687 2.498 1.627 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.886 1.348 0.568 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.827 0.188 -0.199 0.00 0.00 -0.016 A ATOM 6 C LIG 1 1.608 -0.280 -0.664 0.00 0.00 +0.029 A ATOM 7 C LIG 1 0.439 0.438 -0.349 0.00 0.00 +0.034 A ATOM 8 C LIG 1 0.529 1.612 0.425 0.00 0.00 +0.024 A ATOM 9 C LIG 1 1.763 2.077 0.896 0.00 0.00 +0.015 A ATOM 10 C LIG 1 4.196 -0.383 -0.367 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.894 -1.833 0.936 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.919 -1.090 0.878 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.939 -1.129 1.837 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.055 -1.865 2.522 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.640 -0.708 1.667 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.733 -1.212 2.324 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.443 0.390 0.607 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.271 0.041 -0.626 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.736 -0.081 -0.232 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 -0.776 -0.075 -0.851 0.00 0.00 -0.281 N ATOM 21 H LIG 1 -0.704 -0.932 -1.384 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 -2.051 0.407 -0.617 0.00 0.00 +0.248 C ATOM 23 O LIG 1 -2.371 1.334 0.115 0.00 0.00 -0.270 OA BRANCH 22 24 ATOM 24 C LIG 1 -3.136 -0.329 -1.320 0.00 0.00 +0.038 A ATOM 25 C LIG 1 -4.346 -0.533 -0.643 0.00 0.00 +0.024 A ATOM 26 C LIG 1 -5.395 -1.201 -1.282 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -5.220 -1.687 -2.584 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -4.020 -1.470 -3.263 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -2.979 -0.784 -2.636 0.00 0.00 +0.013 A BRANCH 26 30 ATOM 30 C LIG 1 -6.686 -1.464 -0.599 0.00 0.00 +0.193 C ATOM 31 O LIG 1 -7.278 -2.514 -0.842 0.00 0.00 -0.287 OA BRANCH 30 32 ATOM 32 C LIG 1 -7.277 -0.502 0.366 0.00 0.00 +0.022 A ATOM 33 C LIG 1 -8.037 -1.007 1.427 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -8.617 -0.137 2.351 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.449 1.240 2.211 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.710 1.750 1.143 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.129 0.882 0.215 0.00 0.00 +0.012 A ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 7 20 TORSDOF 5