REMARK Name = LIG000983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.449 -0.325 -0.132 0.00 0.00 -0.222 N ATOM 2 C LIG 1 0.395 0.074 0.869 0.00 0.00 +0.255 C ATOM 3 O LIG 1 0.133 0.494 1.978 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.756 -0.066 0.354 0.00 0.00 +0.052 A ATOM 5 C LIG 1 1.661 -0.500 -0.957 0.00 0.00 +0.050 A ATOM 6 C LIG 1 2.778 -0.718 -1.741 0.00 0.00 +0.016 A ATOM 7 C LIG 1 4.029 -0.484 -1.155 0.00 0.00 +0.033 A ATOM 8 C LIG 1 4.121 -0.038 0.189 0.00 0.00 +0.127 A ATOM 9 C LIG 1 2.971 0.179 0.965 0.00 0.00 +0.046 A ATOM 10 C LIG 1 0.241 -0.640 -1.272 0.00 0.00 +0.254 C ATOM 11 O LIG 1 -0.188 -0.979 -2.358 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 -5.519 1.318 1.184 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -4.443 0.857 0.816 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -3.541 1.629 0.127 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -3.794 2.601 0.008 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -2.269 1.285 -0.273 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -1.524 2.123 -0.779 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -1.898 -0.192 -0.104 0.00 0.00 +0.171 C ATOM 19 C LIG 1 -2.559 -0.759 1.149 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -4.067 -0.590 1.038 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 N LIG 1 5.446 0.201 0.779 0.00 0.00 +0.056 N ATOM 22 O LIG 1 5.489 0.555 1.965 0.00 0.00 -0.126 OA ATOM 23 O LIG 1 6.436 0.028 0.057 0.00 0.00 -0.126 OA ENDBRANCH 8 21 TORSDOF 2