REMARK Name = LIG001107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.055 1.228 -0.340 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.032 2.081 0.027 0.00 0.00 -0.293 N ATOM 3 C LIG 1 0.619 2.935 -0.965 0.00 0.00 +0.108 C ATOM 4 C LIG 1 1.225 4.078 -0.137 0.00 0.00 +0.029 C ATOM 5 C LIG 1 1.451 3.456 1.236 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.260 2.522 1.384 0.00 0.00 +0.108 C ATOM 7 O LIG 1 -1.436 1.137 -1.512 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.665 2.199 -1.776 0.00 0.00 -0.008 A ATOM 9 C LIG 1 2.441 1.150 -1.262 0.00 0.00 +0.017 A ATOM 10 C LIG 1 3.413 0.518 -2.048 0.00 0.00 +0.001 A ATOM 11 C LIG 1 3.559 0.992 -3.351 0.00 0.00 +0.119 A ATOM 12 N LIG 1 2.841 2.005 -3.889 0.00 0.00 -0.262 NA ATOM 13 C LIG 1 1.915 2.580 -3.091 0.00 0.00 +0.116 A BRANCH 10 14 ATOM 14 C LIG 1 4.241 -0.575 -1.516 0.00 0.00 -0.015 A ATOM 15 C LIG 1 4.970 -0.410 -0.324 0.00 0.00 +0.026 A ATOM 16 C LIG 1 5.776 -1.443 0.187 0.00 0.00 +0.094 A ATOM 17 C LIG 1 5.835 -2.660 -0.487 0.00 0.00 +0.137 A ATOM 18 F LIG 1 6.550 -3.692 -0.017 0.00 0.00 -0.205 F ATOM 19 C LIG 1 5.117 -2.847 -1.667 0.00 0.00 +0.040 A ATOM 20 C LIG 1 4.329 -1.810 -2.179 0.00 0.00 +0.011 A BRANCH 16 21 ATOM 21 C LIG 1 6.507 -1.191 1.443 0.00 0.00 +0.340 C ATOM 22 O LIG 1 6.213 -0.339 2.262 0.00 0.00 -0.245 OA BRANCH 21 23 ATOM 23 O LIG 1 7.596 -1.961 1.593 0.00 0.00 -0.477 OA ATOM 24 H LIG 1 7.992 -1.671 2.440 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 16 21 ENDBRANCH 10 14 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -1.656 0.318 0.759 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 C LIG 1 -0.736 -0.899 1.034 0.00 0.00 +0.018 C ATOM 27 C LIG 1 -1.152 -1.601 2.345 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -0.530 -2.987 2.458 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -0.994 -3.914 1.333 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -1.427 -3.170 0.068 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -0.619 -1.893 -0.147 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 33 ATOM 32 C LIG 1 -4.086 0.700 0.645 0.00 0.00 +0.230 C ATOM 33 N LIG 1 -2.993 -0.082 0.324 0.00 0.00 -0.302 N ATOM 34 H LIG 1 -3.031 -0.538 -0.581 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 -4.027 1.639 1.440 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 C LIG 1 -5.381 0.320 -0.114 0.00 0.00 +0.137 C ATOM 37 C LIG 1 -5.408 1.116 -1.419 0.00 0.00 +0.034 C BRANCH 36 39 ATOM 38 C LIG 1 -7.826 0.405 0.147 0.00 0.00 +0.101 C ATOM 39 N LIG 1 -6.530 0.556 0.781 0.00 0.00 -0.309 NA ATOM 40 H LIG 1 -6.434 1.491 1.188 0.00 0.00 +0.122 HD ENDBRANCH 36 39 ENDBRANCH 32 36 ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 9