REMARK Name = LIG000988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.287 -1.080 -0.375 0.00 0.00 +0.027 C ATOM 2 C LIG 1 1.306 -2.057 -1.001 0.00 0.00 +0.006 C ATOM 3 C LIG 1 1.762 -3.335 -0.154 0.00 0.00 -0.029 C ATOM 4 C LIG 1 0.376 -3.911 -0.636 0.00 0.00 -0.004 C ATOM 5 C LIG 1 -0.858 -3.413 0.132 0.00 0.00 +0.009 C ATOM 6 C LIG 1 3.017 -4.029 -0.729 0.00 0.00 +0.011 C ATOM 7 C LIG 1 1.936 -3.281 1.365 0.00 0.00 +0.011 C ATOM 8 C LIG 1 0.581 -3.094 -1.934 0.00 0.00 +0.009 C ATOM 9 C LIG 1 -0.940 -1.865 0.190 0.00 0.00 +0.016 C ATOM 10 C LIG 1 -2.151 -1.343 -0.604 0.00 0.00 +0.113 C ATOM 11 N LIG 1 -1.728 -0.014 -1.091 0.00 0.00 -0.176 NA ATOM 12 C LIG 1 -0.300 -0.148 -1.462 0.00 0.00 +0.120 C ENDROOT BRANCH 11 13 ATOM 13 S LIG 1 -2.699 0.700 -2.295 0.00 0.00 +0.061 S ATOM 14 O LIG 1 -2.142 1.998 -2.607 0.00 0.00 -0.153 OA ATOM 15 O LIG 1 -2.906 -0.292 -3.330 0.00 0.00 -0.153 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.230 0.958 -1.443 0.00 0.00 +0.105 A ATOM 17 C LIG 1 -4.280 1.888 -0.407 0.00 0.00 +0.029 A ATOM 18 C LIG 1 -5.482 2.091 0.277 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -6.652 1.379 -0.062 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -6.568 0.455 -1.120 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -5.369 0.244 -1.809 0.00 0.00 +0.029 A BRANCH 19 22 ATOM 22 C LIG 1 -7.957 1.630 0.717 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -9.153 0.785 0.222 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -7.743 1.288 2.207 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -8.363 3.114 0.589 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 13 16 ENDBRANCH 11 13 BRANCH 1 26 ATOM 26 C LIG 1 0.947 -0.198 0.708 0.00 0.00 +0.242 C BRANCH 26 27 ATOM 27 O LIG 1 2.032 0.557 0.134 0.00 0.00 -0.450 OA BRANCH 27 30 ATOM 28 N LIG 1 4.084 1.348 0.109 0.00 0.00 -0.251 N ATOM 29 H LIG 1 3.682 1.755 -0.726 0.00 0.00 +0.158 HD ATOM 30 C LIG 1 3.207 0.578 0.818 0.00 0.00 +0.405 C ATOM 31 O LIG 1 3.400 -0.005 1.874 0.00 0.00 -0.226 OA BRANCH 28 35 ATOM 32 C LIG 1 8.130 2.313 0.847 0.00 0.00 -0.048 A ATOM 33 C LIG 1 7.454 1.455 1.721 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.111 1.124 1.502 0.00 0.00 +0.023 A ATOM 35 C LIG 1 5.426 1.639 0.402 0.00 0.00 +0.036 A ATOM 36 C LIG 1 6.104 2.491 -0.478 0.00 0.00 +0.023 A ATOM 37 C LIG 1 7.444 2.825 -0.259 0.00 0.00 +0.005 A BRANCH 32 39 ATOM 38 C LIG 1 10.509 1.669 0.379 0.00 0.00 +0.009 C ATOM 39 C LIG 1 9.580 2.653 1.077 0.00 0.00 +0.032 C ENDBRANCH 32 39 ENDBRANCH 28 35 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8