REMARK Name = LIG001406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.757 -0.833 0.562 0.00 0.00 +0.038 A ATOM 2 C LIG 1 2.094 -0.451 0.590 0.00 0.00 +0.003 A ATOM 3 C LIG 1 3.214 -0.802 -0.333 0.00 0.00 +0.146 C ATOM 4 N LIG 1 4.367 -0.153 0.272 0.00 0.00 -0.282 N ATOM 5 C LIG 1 4.002 0.647 1.339 0.00 0.00 +0.248 C ATOM 6 O LIG 1 4.688 1.431 1.963 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 2.575 0.411 1.581 0.00 0.00 +0.043 A ATOM 8 C LIG 1 1.784 0.916 2.592 0.00 0.00 +0.013 A ATOM 9 C LIG 1 0.454 0.510 2.611 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -0.043 -0.362 1.620 0.00 0.00 +0.023 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 5.655 -0.117 -0.412 0.00 0.00 +0.163 C ATOM 12 C LIG 1 5.807 1.191 -1.187 0.00 0.00 +0.240 C ATOM 13 O LIG 1 5.037 1.506 -2.095 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 6.817 2.034 -0.805 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.897 2.894 -1.329 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.679 1.911 0.252 0.00 0.00 +0.219 C ATOM 17 O LIG 1 8.531 2.772 0.464 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.520 0.707 1.143 0.00 0.00 +0.098 C ATOM 19 C LIG 1 6.873 -0.471 0.439 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 20 ATOM 20 N LIG 1 0.288 -1.749 -0.402 0.00 0.00 -0.299 N ATOM 21 H LIG 1 0.905 -1.818 -1.203 0.00 0.00 +0.154 HD BRANCH 20 24 ATOM 22 C LIG 1 -3.271 -1.343 -0.971 0.00 0.00 +0.221 A ATOM 23 N LIG 1 -2.027 -1.099 -0.528 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 -1.046 -1.959 -0.843 0.00 0.00 +0.128 A ATOM 25 C LIG 1 -1.296 -3.084 -1.601 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -2.592 -3.265 -2.010 0.00 0.00 +0.118 A ATOM 27 N LIG 1 -3.584 -2.414 -1.713 0.00 0.00 -0.223 NA BRANCH 22 28 ATOM 28 N LIG 1 -4.220 -0.400 -0.607 0.00 0.00 -0.281 N ATOM 29 H LIG 1 -3.797 0.346 -0.069 0.00 0.00 +0.155 HD BRANCH 28 31 ATOM 30 C LIG 1 -6.227 0.915 -0.292 0.00 0.00 +0.141 A ATOM 31 C LIG 1 -5.596 -0.233 -0.831 0.00 0.00 +0.076 A ATOM 32 C LIG 1 -6.375 -1.142 -1.555 0.00 0.00 +0.027 A ATOM 33 C LIG 1 -7.742 -0.925 -1.746 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -8.351 0.206 -1.213 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.597 1.127 -0.486 0.00 0.00 +0.047 A BRANCH 30 37 ATOM 36 C LIG 1 -5.974 2.941 0.948 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -5.394 1.760 0.409 0.00 0.00 -0.493 OA ENDBRANCH 30 37 ENDBRANCH 28 31 ENDBRANCH 22 28 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 6