REMARK Name = LIG001329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.241 0.155 0.961 0.00 0.00 +0.105 C ATOM 2 N LIG 1 4.988 0.575 0.356 0.00 0.00 -0.297 NA ATOM 3 C LIG 1 4.384 -0.471 -0.496 0.00 0.00 +0.120 C ATOM 4 C LIG 1 2.908 -0.243 -0.374 0.00 0.00 -0.028 A ATOM 5 C LIG 1 2.666 0.614 0.722 0.00 0.00 -0.028 A ATOM 6 C LIG 1 1.382 0.980 1.101 0.00 0.00 +0.019 A ATOM 7 C LIG 1 0.365 0.456 0.324 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -1.083 0.620 0.439 0.00 0.00 +0.255 C ATOM 9 O LIG 1 -1.630 1.255 1.320 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -1.644 -0.086 -0.592 0.00 0.00 -0.222 N ATOM 11 C LIG 1 -0.694 -0.753 -1.319 0.00 0.00 +0.255 C ATOM 12 O LIG 1 -0.847 -1.508 -2.261 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.604 -0.390 -0.755 0.00 0.00 +0.050 A ATOM 14 C LIG 1 1.877 -0.772 -1.137 0.00 0.00 +0.019 A ATOM 15 C LIG 1 3.975 0.976 1.354 0.00 0.00 +0.120 C ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -3.070 -0.310 -0.769 0.00 0.00 +0.171 C ATOM 17 C LIG 1 -3.560 -1.309 0.285 0.00 0.00 +0.240 C ATOM 18 O LIG 1 -2.829 -2.113 0.860 0.00 0.00 -0.273 OA ATOM 19 N LIG 1 -4.917 -1.311 0.518 0.00 0.00 -0.255 N ATOM 20 H LIG 1 -5.246 -1.978 1.203 0.00 0.00 +0.158 HD ATOM 21 C LIG 1 -5.855 -0.426 0.044 0.00 0.00 +0.219 C ATOM 22 O LIG 1 -7.030 -0.506 0.388 0.00 0.00 -0.275 OA ATOM 23 C LIG 1 -5.375 0.596 -0.960 0.00 0.00 +0.098 C ATOM 24 C LIG 1 -3.916 0.959 -0.725 0.00 0.00 +0.041 C ENDBRANCH 10 16 TORSDOF 1