REAL300018088300.mol2 44 1 O -0.67 -17.64 17.99 -20.57 -0.37 -18.01 16 2 C 0.56 13.33 8.05 34.42 0.28 13.61 16 3 O -0.67 -17.85 17.82 -20.57 -0.37 -18.21 16 4 C 0.03 0.44 7.13 -82.80 -0.59 -0.15 16 5 N -0.28 -3.43 11.16 33.39 0.37 -3.06 16 6 N -0.28 -1.91 3.52 -10.56 -0.04 -1.95 16 7 C 0.18 0.12 6.66 -83.61 -0.56 -0.44 16 8 C -0.12 0.28 9.43 -39.39 -0.37 -0.09 16 9 C -0.09 0.50 10.04 -39.61 -0.40 0.10 16 10 C -0.11 0.95 9.70 -39.55 -0.38 0.57 16 11 C -0.14 1.31 5.35 -104.65 -0.56 0.75 16 12 C 0.05 -0.82 5.50 -4.98 -0.03 -0.85 16 13 N -0.50 8.81 1.59 -116.34 -0.18 8.63 16 14 H 0.43 -7.24 7.07 -39.29 -0.28 -7.52 16 15 H 0.42 -8.11 8.66 -39.29 -0.34 -8.45 16 16 C 0.04 -0.77 4.65 -4.97 -0.02 -0.79 16 17 C -0.14 2.14 5.38 -104.29 -0.56 1.58 16 18 C -0.05 0.88 9.66 -39.63 -0.38 0.50 16 19 C -0.10 1.52 10.04 -39.49 -0.40 1.12 16 20 C -0.04 0.59 10.03 -39.63 -0.40 0.19 16 21 C -0.11 1.33 9.75 -39.25 -0.38 0.95 16 22 C 0.32 -3.75 9.76 -38.73 -0.38 -4.13 16 23 O -0.58 2.30 17.25 -57.73 -1.00 1.30 16 24 O -0.74 6.88 12.38 -57.73 -0.71 6.17 16 25 C -0.10 0.38 9.25 -39.39 -0.36 0.01 16 26 C -0.04 -0.30 10.78 -16.80 -0.18 -0.49 16 27 C -0.18 -2.11 10.80 -39.33 -0.42 -2.54 16 28 H 0.14 -0.42 6.64 -52.49 -0.35 -0.77 16 29 H 0.14 -1.05 8.06 -52.48 -0.42 -1.47 16 30 H 0.14 -1.48 8.06 -52.49 -0.42 -1.91 16 31 H 0.14 -2.24 8.08 -51.93 -0.42 -2.66 16 32 H 0.14 -2.24 8.08 -51.93 -0.42 -2.66 16 33 H 0.14 -2.87 8.00 -51.93 -0.42 -3.29 16 34 H 0.17 -2.60 5.75 -51.93 -0.30 -2.89 16 35 H 0.18 -3.27 8.04 -52.48 -0.42 -3.70 16 36 H 0.17 -2.72 8.06 -52.49 -0.42 -3.14 16 37 H 0.18 -2.75 8.06 -52.49 -0.42 -3.18 16 38 H 0.18 -2.04 7.77 -52.49 -0.41 -2.45 16 39 H 0.35 -2.15 8.90 45.56 0.41 -1.74 16 40 H 0.34 -3.06 8.90 45.56 0.41 -2.66 16 41 H 0.15 -0.43 7.65 -52.49 -0.40 -0.83 16 42 H 0.18 0.30 6.96 -52.49 -0.37 -0.07 16 43 H 0.16 1.80 8.06 -52.49 -0.42 1.38 16 Total: 0.00 -49.42 374.47 -8.18 -57.60