REMARK Name = LIG000979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.395 -1.623 2.038 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.034 -0.889 1.478 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.533 -2.501 2.575 0.00 0.00 +0.234 C ATOM 4 O LIG 1 0.303 -3.473 3.287 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 -3.357 1.095 0.263 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.441 0.513 0.893 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.601 0.868 0.880 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.928 -0.632 1.653 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -2.537 -0.655 1.532 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -1.793 -1.638 2.170 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -2.495 -2.592 2.920 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -3.901 -2.553 3.031 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -4.636 -1.558 2.393 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -2.100 0.495 0.686 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 -6.747 4.821 -0.497 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -5.777 4.066 -0.504 0.00 0.00 +0.219 C ATOM 17 N LIG 1 -4.725 4.280 0.347 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -4.852 5.036 1.005 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -3.597 3.522 0.516 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -2.819 3.752 1.444 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -3.377 2.364 -0.458 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -4.280 2.416 -1.688 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -5.704 2.865 -1.412 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 1.972 -2.097 2.215 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 1.972 -1.203 1.032 0.00 0.00 -0.320 N ATOM 26 H LIG 1 1.769 -1.761 0.196 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.240 -0.681 0.746 0.00 0.00 +0.123 A ATOM 28 N LIG 1 3.740 -1.017 -0.450 0.00 0.00 -0.213 NA ATOM 29 C LIG 1 4.950 -0.517 -0.776 0.00 0.00 +0.162 A ATOM 30 N LIG 1 5.671 0.298 0.016 0.00 0.00 -0.236 NA ATOM 31 C LIG 1 5.121 0.625 1.197 0.00 0.00 +0.116 A ATOM 32 C LIG 1 3.898 0.162 1.614 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 C LIG 1 5.520 -0.889 -2.088 0.00 0.00 +0.019 A ATOM 34 C LIG 1 4.833 -1.744 -2.976 0.00 0.00 +0.014 A ATOM 35 C LIG 1 5.372 -2.096 -4.218 0.00 0.00 +0.039 A ATOM 36 C LIG 1 6.611 -1.596 -4.592 0.00 0.00 +0.123 A ATOM 37 F LIG 1 7.128 -1.932 -5.780 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.320 -0.753 -3.749 0.00 0.00 +0.039 A ATOM 39 C LIG 1 6.777 -0.403 -2.508 0.00 0.00 +0.014 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 6