REMARK Name = LIG000619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.599 -2.797 2.280 0.00 0.00 +0.173 C ATOM 2 N LIG 1 -3.156 -1.756 1.383 0.00 0.00 -0.266 N ATOM 3 C LIG 1 -2.029 -1.780 0.602 0.00 0.00 +0.071 A ATOM 4 C LIG 1 -2.026 -0.560 -0.069 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -0.977 -0.273 -0.963 0.00 0.00 +0.014 A ATOM 6 C LIG 1 0.039 -1.219 -1.146 0.00 0.00 +0.025 A ATOM 7 C LIG 1 0.009 -2.432 -0.461 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -3.199 0.113 0.381 0.00 0.00 +0.083 A ATOM 9 C LIG 1 -1.025 -2.743 0.427 0.00 0.00 +0.052 A ATOM 10 N LIG 1 -3.879 -0.625 1.271 0.00 0.00 -0.175 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.675 1.481 -0.016 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -4.432 1.426 -1.340 0.00 0.00 +0.228 C ATOM 13 O LIG 1 -4.096 0.724 -2.293 0.00 0.00 -0.275 OA ATOM 14 N LIG 1 -5.479 2.308 -1.489 0.00 0.00 -0.256 N ATOM 15 H LIG 1 -5.939 2.285 -2.389 0.00 0.00 +0.157 HD ATOM 16 C LIG 1 -5.758 3.404 -0.713 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -6.532 4.274 -1.099 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -4.990 3.523 0.580 0.00 0.00 +0.097 C ATOM 19 C LIG 1 -4.531 2.158 1.063 0.00 0.00 +0.028 C ENDBRANCH 8 11 BRANCH 7 20 ATOM 20 N LIG 1 1.069 -3.356 -0.662 0.00 0.00 -0.216 N ATOM 21 H LIG 1 0.828 -4.292 -0.984 0.00 0.00 +0.174 HD BRANCH 20 22 ATOM 22 S LIG 1 2.322 -3.390 0.469 0.00 0.00 +0.072 S ATOM 23 O LIG 1 1.784 -3.186 1.796 0.00 0.00 -0.150 OA ATOM 24 O LIG 1 3.107 -4.568 0.160 0.00 0.00 -0.150 OA BRANCH 22 25 ATOM 25 C LIG 1 3.287 -1.972 0.014 0.00 0.00 +0.109 A ATOM 26 C LIG 1 3.156 -0.782 0.735 0.00 0.00 +0.032 A ATOM 27 C LIG 1 3.925 0.332 0.383 0.00 0.00 +0.047 A ATOM 28 C LIG 1 4.830 0.254 -0.678 0.00 0.00 +0.121 A ATOM 29 C LIG 1 4.958 -0.948 -1.384 0.00 0.00 +0.047 A ATOM 30 C LIG 1 4.195 -2.065 -1.041 0.00 0.00 +0.032 A BRANCH 28 31 ATOM 31 O LIG 1 5.641 1.258 -1.129 0.00 0.00 -0.481 OA BRANCH 31 32 ATOM 32 C LIG 1 5.646 2.487 -0.420 0.00 0.00 +0.349 C BRANCH 32 33 ATOM 33 C LIG 1 6.347 2.462 0.928 0.00 0.00 +0.343 C ATOM 34 O LIG 1 5.917 2.947 1.964 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 7.555 1.866 0.900 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 7.875 1.907 1.825 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 22 25 ENDBRANCH 20 22 ENDBRANCH 7 20 TORSDOF 8