REMARK Name = LIG000748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.003 0.315 0.381 0.00 0.00 -0.198 N ATOM 2 C LIG 1 -2.835 -0.283 0.818 0.00 0.00 +0.278 A ATOM 3 O LIG 1 -2.650 -0.697 1.958 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 -1.781 -0.410 -0.184 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -2.090 0.033 -1.458 0.00 0.00 +0.100 A ATOM 6 C LIG 1 -1.105 -0.059 -2.447 0.00 0.00 +0.031 A ATOM 7 C LIG 1 0.158 -0.587 -2.154 0.00 0.00 +0.007 A ATOM 8 C LIG 1 0.457 -1.044 -0.864 0.00 0.00 -0.029 A ATOM 9 N LIG 1 -3.341 0.559 -1.794 0.00 0.00 -0.131 NA ATOM 10 C LIG 1 -0.524 -0.945 0.130 0.00 0.00 +0.020 A ATOM 11 N LIG 1 -4.221 0.683 -0.918 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 -8.699 0.612 -0.771 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -7.675 0.536 -0.098 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -7.114 1.657 0.458 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.582 2.528 0.247 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -5.880 1.775 1.055 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -5.403 2.887 1.279 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -5.115 0.478 1.317 0.00 0.00 +0.199 C ATOM 19 C LIG 1 -6.056 -0.728 1.339 0.00 0.00 +0.046 C ATOM 20 C LIG 1 -6.940 -0.767 0.102 0.00 0.00 +0.099 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 1.824 -1.588 -0.545 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 N LIG 1 2.751 -0.510 -0.288 0.00 0.00 -0.295 N ATOM 23 H LIG 1 2.412 0.222 0.317 0.00 0.00 +0.151 HD ATOM 24 C LIG 1 4.091 -0.810 -0.130 0.00 0.00 +0.304 C ATOM 25 N LIG 1 4.806 0.326 0.179 0.00 0.00 -0.269 N ATOM 26 H LIG 1 4.317 1.195 0.029 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 4.527 -1.944 -0.272 0.00 0.00 -0.252 OA BRANCH 25 28 ATOM 28 C LIG 1 6.176 0.421 0.491 0.00 0.00 +0.035 A ATOM 29 C LIG 1 7.008 -0.682 0.688 0.00 0.00 +0.023 A ATOM 30 C LIG 1 8.358 -0.504 1.006 0.00 0.00 +0.002 A ATOM 31 C LIG 1 8.887 0.778 1.133 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.064 1.886 0.945 0.00 0.00 +0.002 A ATOM 33 C LIG 1 6.715 1.708 0.627 0.00 0.00 +0.023 A ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 4