REAL300019898619.mol2 41 1 O -0.53 -9.72 13.16 5.55 0.07 -9.65 16 2 C 0.52 8.64 7.63 -10.98 -0.08 8.55 16 3 C -0.14 -1.72 5.68 -27.88 -0.16 -1.88 16 4 C -0.07 -0.73 4.62 -27.88 -0.13 -0.86 16 5 C -0.08 -0.69 5.16 -104.37 -0.54 -1.23 16 6 C -0.09 -0.44 9.68 -39.58 -0.38 -0.82 16 7 C -0.10 -0.36 10.04 -39.48 -0.40 -0.76 16 8 C -0.11 -0.52 10.04 -39.63 -0.40 -0.92 16 9 C -0.08 -0.70 6.31 -104.36 -0.66 -1.36 16 10 C 0.26 2.98 9.97 -38.81 -0.39 2.59 16 11 O -0.53 -9.46 17.75 -56.57 -1.00 -10.47 16 12 O -0.47 -8.00 15.05 -56.57 -0.85 -8.85 16 13 C 0.09 1.04 7.74 35.91 0.28 1.31 16 14 N -0.65 -12.37 5.01 -9.68 -0.05 -12.42 16 15 C 0.17 3.38 6.43 -83.43 -0.54 2.85 16 16 C -0.12 -2.18 8.71 -39.44 -0.34 -2.53 16 17 C -0.10 -1.64 9.81 -39.53 -0.39 -2.03 16 18 C -0.05 -0.92 6.31 -39.53 -0.25 -1.17 16 19 Cl -0.08 -1.26 28.95 -51.86 -1.50 -2.76 16 20 C -0.07 -1.46 9.47 -39.25 -0.37 -1.83 16 21 C 0.02 0.48 5.89 -104.73 -0.62 -0.13 16 22 C 0.09 2.36 7.88 -156.43 -1.23 1.13 16 23 N -0.39 -10.60 9.58 32.13 0.31 -10.30 16 24 N -0.18 -5.31 13.45 60.35 0.81 -4.50 16 25 N -0.18 -5.51 13.45 60.35 0.81 -4.70 16 26 N -0.36 -10.50 12.15 32.13 0.39 -10.11 16 27 H 0.11 1.54 8.14 -51.93 -0.42 1.12 16 28 H 0.10 0.95 8.14 -51.93 -0.42 0.53 16 29 H 0.10 1.41 7.30 -51.93 -0.38 1.03 16 30 H 0.09 0.85 8.01 -51.93 -0.42 0.43 16 31 H 0.16 0.40 8.06 -52.49 -0.42 -0.02 16 32 H 0.15 0.08 8.06 -52.48 -0.42 -0.34 16 33 H 0.16 0.31 8.06 -52.49 -0.42 -0.12 16 34 H 0.36 5.56 9.30 45.56 0.42 5.98 16 35 H 0.07 0.62 8.14 -51.93 -0.42 0.19 16 36 H 0.07 0.67 8.14 -51.93 -0.42 0.25 16 37 H 0.43 8.67 5.96 -40.82 -0.24 8.42 16 38 H 0.15 2.54 5.80 -52.49 -0.30 2.23 16 39 H 0.13 1.72 8.06 -52.49 -0.42 1.30 16 40 H 0.14 2.94 7.88 -52.49 -0.41 2.53 16 Total: -1.00 -36.99 368.99 -6.76 -43.74