REMARK Name = LIG001607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.940 -0.600 -0.311 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -1.068 0.167 0.449 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -1.331 0.949 1.341 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.286 -0.124 -0.036 0.00 0.00 +0.042 A ATOM 5 C LIG 1 0.180 -0.984 -1.125 0.00 0.00 -0.018 A ATOM 6 C LIG 1 1.316 -1.415 -1.780 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.558 -0.963 -1.312 0.00 0.00 +0.009 A ATOM 8 C LIG 1 2.672 -0.084 -0.203 0.00 0.00 -0.017 A ATOM 9 C LIG 1 1.498 0.340 0.441 0.00 0.00 +0.022 A ATOM 10 C LIG 1 -1.255 -1.274 -1.406 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -7.035 1.392 0.351 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -5.925 0.881 0.223 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -5.022 1.373 -0.686 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -5.317 2.188 -1.207 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -3.816 0.826 -1.060 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -3.197 1.287 -2.018 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -3.390 -0.444 -0.306 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -4.008 -0.471 1.092 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -5.521 -0.364 0.976 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 3.993 0.373 0.261 0.00 0.00 -0.018 A ATOM 21 C LIG 1 4.375 0.239 1.606 0.00 0.00 +0.008 A ATOM 22 C LIG 1 5.629 0.672 2.047 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.522 1.249 1.149 0.00 0.00 +0.000 A ATOM 24 C LIG 1 6.164 1.394 -0.189 0.00 0.00 +0.001 A ATOM 25 C LIG 1 4.910 0.960 -0.628 0.00 0.00 +0.008 A ENDBRANCH 8 20 TORSDOF 2