REMARK Name = LIG001068 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.495 0.554 0.880 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -1.323 -0.353 0.197 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.689 -0.121 0.151 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -3.770 -0.930 -0.483 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.958 -0.101 -0.281 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.690 0.957 0.582 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.474 1.733 1.091 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.240 0.979 0.797 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.476 1.871 1.517 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -1.098 1.640 1.563 0.00 0.00 +0.023 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.320 -0.583 -0.538 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.341 -1.824 -1.446 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.992 -2.938 -1.056 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.617 -1.616 -2.777 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.528 -2.427 -3.375 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.693 -0.411 -3.427 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -6.645 -0.353 -4.653 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -6.765 0.825 -2.564 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.232 0.484 -1.157 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 N LIG 1 0.882 0.365 1.039 0.00 0.00 -0.340 N ATOM 21 H LIG 1 1.364 1.239 1.235 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 1.614 -0.455 0.075 0.00 0.00 +0.140 C BRANCH 22 30 ATOM 23 C LIG 1 4.916 -0.902 1.927 0.00 0.00 +0.128 A ATOM 24 C LIG 1 5.864 -0.416 0.992 0.00 0.00 +0.027 A ATOM 25 C LIG 1 5.419 0.094 -0.254 0.00 0.00 +0.028 A ATOM 26 C LIG 1 6.381 0.541 -1.188 0.00 0.00 +0.012 A ATOM 27 C LIG 1 7.746 0.516 -0.903 0.00 0.00 +0.001 A ATOM 28 C LIG 1 8.183 0.036 0.322 0.00 0.00 +0.001 A ATOM 29 C LIG 1 4.028 0.129 -0.520 0.00 0.00 +0.133 A ATOM 30 C LIG 1 3.092 -0.394 0.384 0.00 0.00 +0.015 A ATOM 31 C LIG 1 7.253 -0.425 1.255 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.554 -0.898 1.610 0.00 0.00 +0.055 A BRANCH 23 34 ATOM 33 C LIG 1 4.500 -1.828 4.096 0.00 0.00 +0.277 C ATOM 34 O LIG 1 5.423 -1.374 3.115 0.00 0.00 -0.494 OA ENDBRANCH 23 34 BRANCH 29 35 ATOM 35 O LIG 1 3.580 0.632 -1.722 0.00 0.00 -0.494 OA ATOM 36 C LIG 1 3.338 2.038 -1.607 0.00 0.00 +0.277 C ENDBRANCH 29 35 ENDBRANCH 22 30 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6