USER Name = USER x y z vdW Elec q Type USER _______ _______ _______ _____ _____ ______ ____ ROOT HETATM 1 C LIG 1 3.859 -4.272 0.190 0.00 0.00 +0.113 C HETATM 2 C LIG 1 2.702 -3.476 0.836 0.00 0.00 +0.165 C HETATM 3 C LIG 1 1.696 -2.953 -0.197 0.00 0.00 +0.165 C HETATM 4 C LIG 1 2.285 -1.821 -1.073 0.00 0.00 +0.113 C HETATM 5 N LIG 1 3.407 -2.314 -1.917 0.00 0.00 -0.275 N HETATM 6 C LIG 1 4.663 -2.369 -1.350 0.00 0.00 +0.306 C HETATM 7 O LIG 1 5.580 -1.642 -1.720 0.00 0.00 -0.252 OA HETATM 8 N LIG 1 4.870 -3.294 -0.323 0.00 0.00 -0.275 N ENDROOT BRANCH 3 9 HETATM 9 O LIG 1 0.519 -2.503 0.493 0.00 0.00 -0.387 OA HETATM 10 H LIG 1 0.410 -3.133 1.239 0.00 0.00 +0.210 HD ENDBRANCH 3 9 BRANCH 2 11 HETATM 11 O LIG 1 2.001 -4.220 1.847 0.00 0.00 -0.387 OA HETATM 12 H LIG 1 2.668 -4.537 2.486 0.00 0.00 +0.210 HD ENDBRANCH 2 11 BRANCH 1 13 HETATM 13 C LIG 1 3.500 -5.378 -0.854 0.00 0.00 +0.060 C BRANCH 13 17 HETATM 14 C LIG 1 1.416 -8.995 0.416 0.00 0.00 +0.000 A HETATM 15 C LIG 1 0.846 -7.747 0.649 0.00 0.00 +0.000 A HETATM 16 C LIG 1 1.503 -6.588 0.228 0.00 0.00 +0.004 A HETATM 17 C LIG 1 2.770 -6.628 -0.373 0.00 0.00 -0.046 A HETATM 18 C LIG 1 3.316 -7.903 -0.620 0.00 0.00 +0.004 A HETATM 19 C LIG 1 2.642 -9.068 -0.236 0.00 0.00 +0.000 A ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 8 20 HETATM 20 C LIG 1 6.280 -3.362 0.101 0.00 0.00 +0.144 C BRANCH 20 21 HETATM 21 C LIG 1 6.614 -4.175 1.320 0.00 0.00 -0.030 A HETATM 22 C LIG 1 6.710 -3.564 2.577 0.00 0.00 +0.005 A HETATM 23 C LIG 1 6.987 -4.330 3.711 0.00 0.00 +0.006 A HETATM 24 C LIG 1 7.164 -5.717 3.612 0.00 0.00 -0.022 A HETATM 25 C LIG 1 7.076 -6.322 2.351 0.00 0.00 +0.006 A HETATM 26 C LIG 1 6.819 -5.557 1.213 0.00 0.00 +0.005 A BRANCH 24 27 HETATM 27 C LIG 1 7.361 -6.569 4.837 0.00 0.00 +0.191 C BRANCH 27 28 HETATM 28 O LIG 1 8.119 -5.879 5.822 0.00 0.00 -0.390 OA HETATM 29 H LIG 1 8.194 -6.478 6.583 0.00 0.00 +0.210 HD ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 8 20 BRANCH 5 30 HETATM 30 C LIG 1 3.213 -2.187 -3.389 0.00 0.00 +0.144 C BRANCH 30 31 HETATM 31 C LIG 1 4.379 -1.915 -4.325 0.00 0.00 -0.030 A HETATM 32 C LIG 1 4.269 -0.890 -5.282 0.00 0.00 +0.005 A HETATM 33 C LIG 1 5.352 -0.533 -6.093 0.00 0.00 +0.006 A HETATM 34 C LIG 1 6.583 -1.188 -5.968 0.00 0.00 -0.022 A HETATM 35 C LIG 1 6.670 -2.268 -5.081 0.00 0.00 +0.006 A HETATM 36 C LIG 1 5.569 -2.653 -4.305 0.00 0.00 +0.005 A BRANCH 34 37 HETATM 37 C LIG 1 7.776 -0.665 -6.730 0.00 0.00 +0.191 C BRANCH 37 38 HETATM 38 O LIG 1 8.922 -1.494 -6.584 0.00 0.00 -0.390 OA HETATM 39 H LIG 1 9.678 -0.979 -6.911 0.00 0.00 +0.210 HD ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 5 30 BRANCH 4 40 HETATM 40 C LIG 1 2.628 -0.571 -0.198 0.00 0.00 +0.060 C BRANCH 40 41 HETATM 41 C LIG 1 2.773 0.793 -0.842 0.00 0.00 -0.046 A HETATM 42 C LIG 1 3.604 1.031 -1.939 0.00 0.00 +0.004 A HETATM 43 C LIG 1 3.816 2.325 -2.419 0.00 0.00 +0.000 A HETATM 44 C LIG 1 3.220 3.411 -1.787 0.00 0.00 +0.000 A HETATM 45 C LIG 1 2.402 3.199 -0.681 0.00 0.00 +0.000 A HETATM 46 C LIG 1 2.180 1.902 -0.215 0.00 0.00 +0.004 A ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 14 TER