REMARK Name = LIG001841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.106 4.051 0.414 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.508 2.810 0.525 0.00 0.00 -0.284 N ATOM 3 H LIG 1 0.882 2.433 -0.334 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.733 4.635 1.293 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.487 1.933 1.629 0.00 0.00 +0.039 A ATOM 6 C LIG 1 1.081 0.683 1.504 0.00 0.00 +0.003 A ATOM 7 C LIG 1 1.804 0.060 0.352 0.00 0.00 +0.146 C ATOM 8 N LIG 1 2.308 -1.182 0.914 0.00 0.00 -0.282 N ATOM 9 C LIG 1 1.822 -1.413 2.188 0.00 0.00 +0.248 C ATOM 10 O LIG 1 2.005 -2.388 2.891 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 1.071 -0.215 2.576 0.00 0.00 +0.043 A ATOM 12 C LIG 1 0.482 0.068 3.791 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -0.109 1.320 3.929 0.00 0.00 +0.003 A ATOM 14 C LIG 1 -0.101 2.242 2.863 0.00 0.00 +0.023 A BRANCH 8 15 ATOM 15 C LIG 1 3.081 -2.165 0.164 0.00 0.00 +0.163 C ATOM 16 C LIG 1 2.300 -2.808 -0.992 0.00 0.00 +0.240 C ATOM 17 O LIG 1 1.093 -2.679 -1.175 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 3.055 -3.566 -1.858 0.00 0.00 -0.255 N ATOM 19 H LIG 1 2.534 -3.966 -2.626 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 4.385 -3.365 -2.127 0.00 0.00 +0.219 C ATOM 21 O LIG 1 4.881 -3.741 -3.183 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 5.192 -2.670 -1.055 0.00 0.00 +0.098 C ATOM 23 C LIG 1 4.379 -1.574 -0.384 0.00 0.00 +0.041 C ENDBRANCH 8 15 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 C LIG 1 0.029 4.664 -0.997 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 -1.104 4.294 -1.869 0.00 0.00 -0.320 N ATOM 26 H LIG 1 -1.954 4.375 -1.299 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 -1.857 0.827 -1.733 0.00 0.00 +0.165 A ATOM 28 N LIG 1 -1.883 2.149 -1.494 0.00 0.00 -0.213 NA ATOM 29 C LIG 1 -1.082 2.937 -2.211 0.00 0.00 +0.123 A ATOM 30 C LIG 1 -0.235 2.450 -3.176 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -0.264 1.091 -3.364 0.00 0.00 +0.116 A ATOM 32 N LIG 1 -1.036 0.261 -2.642 0.00 0.00 -0.235 NA BRANCH 27 35 ATOM 33 C LIG 1 -3.211 -2.334 -0.095 0.00 0.00 +0.121 A ATOM 34 C LIG 1 -2.414 -1.446 -0.830 0.00 0.00 +0.060 A ATOM 35 C LIG 1 -2.710 -0.063 -0.913 0.00 0.00 +0.064 A ATOM 36 C LIG 1 -3.835 0.386 -0.187 0.00 0.00 +0.131 A ATOM 37 C LIG 1 -4.649 -0.501 0.530 0.00 0.00 +0.050 A ATOM 38 C LIG 1 -4.333 -1.853 0.575 0.00 0.00 +0.049 A BRANCH 33 40 ATOM 39 C LIG 1 -1.798 -4.208 -0.488 0.00 0.00 +0.277 C ATOM 40 O LIG 1 -3.017 -3.684 0.026 0.00 0.00 -0.495 OA ENDBRANCH 33 40 BRANCH 36 41 ATOM 41 O LIG 1 -4.236 1.701 -0.224 0.00 0.00 -0.494 OA ATOM 42 C LIG 1 -3.856 2.368 0.982 0.00 0.00 +0.277 C ENDBRANCH 36 41 ENDBRANCH 27 35 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8