REMARK Name = LIG001133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.685 -0.956 2.604 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -5.145 -0.396 1.669 0.00 0.00 +0.254 C ATOM 3 N LIG 1 -5.644 -0.056 0.442 0.00 0.00 -0.231 N ATOM 4 C LIG 1 -4.693 0.560 -0.334 0.00 0.00 +0.258 C ATOM 5 O LIG 1 -4.811 0.973 -1.472 0.00 0.00 -0.269 OA ATOM 6 C LIG 1 -3.468 0.633 0.473 0.00 0.00 +0.091 A ATOM 7 C LIG 1 -2.213 1.153 0.193 0.00 0.00 +0.133 A ATOM 8 C LIG 1 -1.248 1.052 1.205 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.549 0.451 2.447 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.820 -0.061 2.704 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -3.755 0.046 1.693 0.00 0.00 +0.053 A ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -7.005 -0.320 -0.019 0.00 0.00 +0.085 C ATOM 13 C LIG 1 -7.298 -1.826 -0.100 0.00 0.00 +0.023 C ATOM 14 C LIG 1 -8.718 -2.094 -0.594 0.00 0.00 +0.002 C ATOM 15 C LIG 1 -9.756 -1.369 0.258 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -9.470 0.128 0.343 0.00 0.00 +0.002 C ATOM 17 C LIG 1 -8.053 0.403 0.841 0.00 0.00 +0.023 C ENDBRANCH 3 12 BRANCH 7 18 ATOM 18 O LIG 1 -2.028 1.705 -1.036 0.00 0.00 -0.489 OA BRANCH 18 19 ATOM 19 C LIG 1 -0.783 2.326 -1.351 0.00 0.00 +0.257 C BRANCH 19 20 ATOM 20 C LIG 1 0.218 1.312 -1.905 0.00 0.00 +0.201 C BRANCH 20 21 ATOM 21 O LIG 1 1.461 1.916 -2.261 0.00 0.00 -0.374 OA BRANCH 21 22 ATOM 22 C LIG 1 2.328 2.141 -1.145 0.00 0.00 +0.188 C BRANCH 22 23 ATOM 23 C LIG 1 3.686 2.643 -1.646 0.00 0.00 +0.188 C BRANCH 23 24 ATOM 24 O LIG 1 4.424 1.615 -2.317 0.00 0.00 -0.375 OA BRANCH 24 25 ATOM 25 C LIG 1 5.157 0.758 -1.443 0.00 0.00 +0.188 C BRANCH 25 26 ATOM 26 C LIG 1 6.552 1.318 -1.161 0.00 0.00 +0.188 C BRANCH 26 27 ATOM 27 O LIG 1 7.266 0.507 -0.230 0.00 0.00 -0.373 OA BRANCH 27 28 ATOM 28 C LIG 1 7.934 -0.592 -0.852 0.00 0.00 +0.195 C BRANCH 28 29 ATOM 29 C LIG 1 8.626 -1.431 0.194 0.00 0.00 -0.022 A ATOM 30 C LIG 1 8.646 -2.829 0.079 0.00 0.00 +0.006 A ATOM 31 C LIG 1 9.316 -3.611 1.022 0.00 0.00 +0.000 A ATOM 32 C LIG 1 9.981 -3.005 2.086 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.980 -1.617 2.206 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.311 -0.835 1.263 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 7 18 TORSDOF 13