REMARK Name = LIG001671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.974 -1.944 -0.676 0.00 0.00 +0.240 C ATOM 2 N LIG 1 3.796 -2.488 -0.185 0.00 0.00 -0.295 N ATOM 3 C LIG 1 2.849 -3.031 -1.170 0.00 0.00 +0.127 C ATOM 4 C LIG 1 1.780 -1.978 -1.523 0.00 0.00 +0.127 C ATOM 5 N LIG 1 1.126 -1.500 -0.290 0.00 0.00 -0.296 N ATOM 6 C LIG 1 -0.113 -1.959 0.161 0.00 0.00 +0.253 C ATOM 7 O LIG 1 -0.441 -1.859 1.344 0.00 0.00 -0.272 OA ATOM 8 C LIG 1 2.067 -0.963 0.705 0.00 0.00 +0.127 C ATOM 9 C LIG 1 3.139 -2.016 1.053 0.00 0.00 +0.127 C ATOM 10 O LIG 1 5.243 -1.896 -1.875 0.00 0.00 -0.271 OA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 6.871 -0.547 -0.065 0.00 0.00 +0.056 C ATOM 12 C LIG 1 5.937 -1.428 0.323 0.00 0.00 +0.071 C BRANCH 11 13 ATOM 13 C LIG 1 7.841 -0.043 0.938 0.00 0.00 +0.186 C ATOM 14 O LIG 1 7.670 -0.228 2.139 0.00 0.00 -0.287 OA BRANCH 13 18 ATOM 15 C LIG 1 11.249 2.255 -0.329 0.00 0.00 +0.120 A ATOM 16 C LIG 1 10.664 1.340 -1.208 0.00 0.00 +0.046 A ATOM 17 C LIG 1 9.556 0.579 -0.822 0.00 0.00 +0.015 A ATOM 18 C LIG 1 9.014 0.738 0.458 0.00 0.00 +0.022 A ATOM 19 C LIG 1 9.609 1.644 1.345 0.00 0.00 +0.015 A ATOM 20 C LIG 1 10.719 2.403 0.953 0.00 0.00 +0.046 A BRANCH 15 22 ATOM 21 C LIG 1 12.964 3.863 0.022 0.00 0.00 +0.277 C ATOM 22 O LIG 1 12.324 2.929 -0.838 0.00 0.00 -0.495 OA ENDBRANCH 15 22 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 -1.057 -2.564 -0.893 0.00 0.00 +0.324 C BRANCH 23 24 ATOM 24 O LIG 1 -2.368 -2.877 -0.448 0.00 0.00 -0.483 OA BRANCH 24 25 ATOM 25 C LIG 1 -3.292 -1.870 -0.417 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -3.033 -0.507 -0.540 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -4.082 0.423 -0.484 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -5.409 0.006 -0.303 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.654 -1.367 -0.168 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -4.607 -2.293 -0.222 0.00 0.00 +0.046 A BRANCH 28 31 ATOM 31 C LIG 1 -6.529 0.945 -0.239 0.00 0.00 +0.080 A ATOM 32 N LIG 1 -7.796 0.515 0.130 0.00 0.00 -0.225 NA ATOM 33 C LIG 1 -8.670 1.500 0.138 0.00 0.00 +0.161 A ATOM 34 S LIG 1 -7.989 3.021 -0.334 0.00 0.00 -0.060 S ATOM 35 C LIG 1 -6.457 2.289 -0.536 0.00 0.00 +0.076 A BRANCH 33 36 ATOM 36 N LIG 1 -9.977 1.329 0.478 0.00 0.00 -0.305 N ATOM 37 C LIG 1 -10.496 -0.025 0.696 0.00 0.00 +0.135 C ATOM 38 C LIG 1 -11.944 -0.115 0.188 0.00 0.00 +0.179 C ATOM 39 O LIG 1 -12.845 0.814 0.810 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 -12.196 1.996 1.300 0.00 0.00 +0.179 C ATOM 41 C LIG 1 -10.961 2.412 0.485 0.00 0.00 +0.135 C ENDBRANCH 33 36 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9