REAL300019861491.mol2 46 1 C -0.14 -1.48 9.19 37.16 0.34 -1.14 16 2 C -0.11 -1.44 3.12 -90.62 -0.28 -1.72 16 3 C -0.15 -1.93 8.18 37.16 0.30 -1.62 16 4 C 0.11 1.72 4.70 -4.04 -0.02 1.70 16 5 N -0.60 -11.30 2.28 -175.05 -0.40 -11.70 16 6 C 0.23 5.05 5.10 -5.19 -0.03 5.03 16 7 C 0.04 1.00 7.94 -156.72 -1.25 -0.25 16 8 N -0.38 -11.50 12.43 32.44 0.40 -11.10 16 9 N -0.20 -6.45 13.47 60.35 0.81 -5.63 16 10 N -0.20 -6.59 13.47 60.35 0.81 -5.78 16 11 N -0.37 -11.50 12.43 32.44 0.40 -11.10 16 12 C 0.52 9.87 7.67 -10.99 -0.08 9.79 16 13 O -0.52 -12.17 15.56 5.56 0.09 -12.08 16 14 C -0.13 -1.85 4.23 -27.88 -0.12 -1.97 16 15 C -0.07 -0.92 4.62 -27.88 -0.13 -1.04 16 16 C -0.07 -0.73 5.16 -104.37 -0.54 -1.27 16 17 C -0.08 -0.55 9.68 -39.59 -0.38 -0.94 16 18 C -0.10 -0.43 10.04 -39.48 -0.40 -0.83 16 19 C -0.11 -0.54 10.04 -39.63 -0.40 -0.94 16 20 C -0.08 -0.69 6.31 -104.36 -0.66 -1.35 16 21 C 0.26 2.99 9.97 -38.81 -0.39 2.61 16 22 O -0.53 -8.82 17.75 -56.57 -1.00 -9.82 16 23 O -0.47 -7.59 15.05 -56.57 -0.85 -8.44 16 24 C 0.09 0.99 7.74 35.91 0.28 1.27 16 25 H 0.06 0.60 8.14 -51.93 -0.42 0.17 16 26 H 0.06 0.54 8.14 -51.93 -0.42 0.11 16 27 H 0.05 0.51 8.14 -51.93 -0.42 0.08 16 28 H 0.07 0.94 7.30 -51.93 -0.38 0.56 16 29 H 0.05 0.58 8.14 -51.93 -0.42 0.16 16 30 H 0.06 0.76 8.14 -51.93 -0.42 0.34 16 31 H 0.06 0.88 5.89 -51.93 -0.31 0.57 16 32 H 0.07 0.94 6.44 -51.93 -0.33 0.60 16 33 H 0.09 1.47 8.07 -51.93 -0.42 1.06 16 34 H 0.09 1.98 7.42 -51.93 -0.39 1.60 16 35 H 0.09 1.67 5.98 -51.93 -0.31 1.36 16 36 H 0.09 1.10 7.40 -51.93 -0.38 0.72 16 37 H 0.10 1.29 7.26 -51.92 -0.38 0.92 16 38 H 0.10 1.57 7.29 -51.93 -0.38 1.19 16 39 H 0.10 1.25 8.01 -51.93 -0.42 0.84 16 40 H 0.16 0.82 8.06 -52.49 -0.42 0.40 16 41 H 0.15 0.22 8.06 -52.49 -0.42 -0.20 16 42 H 0.16 0.31 8.06 -52.49 -0.42 -0.11 16 43 H 0.35 4.84 9.30 45.56 0.42 5.27 16 44 H 0.07 0.59 8.14 -51.93 -0.42 0.16 16 45 H 0.07 0.58 8.14 -51.93 -0.42 0.16 16 Total: -1.00 -41.39 377.69 -5.28 -46.67