REMARK Name = LIG001007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.588 0.207 -1.824 0.00 0.00 +0.141 A ATOM 2 C LIG 1 1.845 0.625 -1.438 0.00 0.00 +0.092 A ATOM 3 C LIG 1 2.748 0.150 -0.390 0.00 0.00 +0.258 C ATOM 4 N LIG 1 3.841 0.976 -0.410 0.00 0.00 -0.222 N ATOM 5 C LIG 1 3.765 1.883 -1.431 0.00 0.00 +0.255 C ATOM 6 O LIG 1 4.581 2.717 -1.775 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 2.552 -0.815 0.323 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 2.471 1.680 -2.076 0.00 0.00 +0.053 A ATOM 9 C LIG 1 1.893 2.357 -3.135 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.629 1.934 -3.551 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -0.019 0.863 -2.905 0.00 0.00 +0.047 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 5.045 0.783 0.383 0.00 0.00 +0.171 C ATOM 13 C LIG 1 5.832 -0.409 -0.172 0.00 0.00 +0.240 C ATOM 14 O LIG 1 5.741 -0.812 -1.330 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 6.734 -0.983 0.696 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.266 -1.760 0.328 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.922 -0.702 2.027 0.00 0.00 +0.219 C ATOM 18 O LIG 1 7.745 -1.321 2.695 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.120 0.445 2.597 0.00 0.00 +0.098 C ATOM 20 C LIG 1 4.789 0.600 1.877 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 O LIG 1 -0.010 -0.854 -1.199 0.00 0.00 -0.455 OA BRANCH 21 26 ATOM 22 C LIG 1 -2.748 0.688 0.746 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -3.714 -0.324 0.597 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -3.459 -1.500 -0.134 0.00 0.00 -0.037 A ATOM 25 C LIG 1 -2.189 -1.624 -0.726 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -1.230 -0.616 -0.603 0.00 0.00 +0.131 A ATOM 27 C LIG 1 -1.501 0.529 0.148 0.00 0.00 +0.069 A BRANCH 22 30 ATOM 28 C LIG 1 -3.072 3.929 2.652 0.00 0.00 +0.109 C ATOM 29 C LIG 1 -2.348 2.942 1.770 0.00 0.00 +0.214 C ATOM 30 N LIG 1 -3.111 1.817 1.512 0.00 0.00 -0.286 N ATOM 31 H LIG 1 -4.040 1.799 1.913 0.00 0.00 +0.155 HD ATOM 32 O LIG 1 -1.208 3.169 1.380 0.00 0.00 -0.276 OA ENDBRANCH 22 30 BRANCH 24 33 ATOM 33 C LIG 1 -4.496 -2.625 -0.296 0.00 0.00 -0.012 C ATOM 34 C LIG 1 -5.845 -2.340 0.402 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -4.797 -2.842 -1.796 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -3.940 -3.934 0.304 0.00 0.00 +0.015 C ENDBRANCH 24 33 ENDBRANCH 21 26 ENDBRANCH 1 21 TORSDOF 5