REAL300013458600.mol2 34 1 O -0.70 -22.90 15.66 -20.22 -0.32 -23.21 16 2 C 0.49 16.03 7.82 36.01 0.28 16.31 16 3 O -0.71 -26.25 18.00 -20.23 -0.36 -26.62 16 4 C -0.19 -4.78 5.17 -27.88 -0.14 -4.93 16 5 C 0.20 3.97 0.23 -131.01 -0.03 3.94 16 6 N -0.69 -12.68 4.62 -51.66 -0.24 -12.91 16 7 C 0.71 12.53 7.90 -86.92 -0.69 11.84 16 8 O -0.56 -10.80 11.48 5.29 0.06 -10.74 16 9 N -0.67 -9.89 5.34 -12.63 -0.07 -9.95 16 10 C 0.24 3.22 6.54 -81.29 -0.53 2.69 16 11 C -0.14 -1.52 8.55 -39.97 -0.34 -1.86 16 12 C -0.02 -0.16 9.83 -40.14 -0.39 -0.55 16 13 C -0.11 -0.95 10.27 -37.01 -0.38 -1.33 16 14 C 0.19 2.41 7.36 -79.58 -0.59 1.82 16 15 C 0.15 2.25 7.34 -79.31 -0.58 1.67 16 16 N -0.35 -6.15 19.00 35.14 0.67 -5.48 16 17 N -0.32 -4.91 19.05 34.97 0.67 -4.24 16 18 C -0.11 -2.03 6.19 -25.92 -0.16 -2.19 16 19 C -0.15 -2.08 7.99 -25.91 -0.21 -2.28 16 20 C -0.14 -2.27 6.95 -25.92 -0.18 -2.45 16 21 H 0.07 1.85 7.00 -51.93 -0.36 1.49 16 22 H 0.07 1.59 8.08 -51.93 -0.42 1.17 16 23 H 0.40 6.81 8.68 -40.82 -0.35 6.46 16 24 H 0.41 5.40 8.84 -40.82 -0.36 5.04 16 25 H 0.17 2.00 5.91 -52.49 -0.31 1.69 16 26 H 0.15 0.59 8.06 -52.48 -0.42 0.16 16 27 H 0.16 0.84 8.06 -52.49 -0.42 0.42 16 28 H 0.08 1.44 8.01 -51.93 -0.42 1.02 16 29 H 0.09 1.63 8.10 -51.93 -0.42 1.21 16 30 H 0.06 0.77 8.14 -51.93 -0.42 0.35 16 31 H 0.07 0.94 8.14 -51.93 -0.42 0.52 16 32 H 0.08 1.31 8.06 -51.93 -0.42 0.89 16 33 H 0.07 1.13 7.18 -51.93 -0.37 0.76 16 Total: -1.00 -40.63 287.56 -4.33 -44.97