REAL300020156755.mol2 37 1 O -0.52 -19.74 13.02 -3.95 -0.05 -19.79 16 2 C 0.55 13.86 7.51 86.74 0.65 14.51 16 3 N -0.65 -13.62 5.28 -306.22 -1.62 -15.24 16 4 C 0.13 3.64 6.28 38.17 0.24 3.88 16 5 C -0.14 -3.12 9.96 22.39 0.22 -2.90 16 6 C -0.10 -2.45 10.04 22.25 0.22 -2.22 16 7 C -0.13 -4.23 9.70 22.29 0.22 -4.01 16 8 C -0.07 -2.67 5.11 -19.88 -0.10 -2.77 16 9 C 0.03 1.47 5.97 29.11 0.17 1.64 16 10 C 0.07 4.06 7.63 138.33 1.06 5.12 16 11 N -0.40 -24.97 12.45 -50.84 -0.63 -25.60 16 12 N -0.22 -14.80 13.46 37.02 0.50 -14.30 16 13 N -0.22 -15.13 13.46 37.02 0.50 -14.63 16 14 N -0.40 -25.72 12.45 -50.84 -0.63 -26.36 16 15 C -0.12 -4.58 8.31 22.40 0.19 -4.39 16 16 C -0.13 -2.01 5.87 -20.08 -0.12 -2.13 16 17 C -0.04 -0.40 9.24 22.74 0.21 -0.19 16 18 C 0.31 3.73 9.79 22.82 0.22 3.95 16 19 O -0.71 -18.10 17.23 -127.47 -2.20 -20.30 16 20 O -0.72 -19.25 17.23 -127.47 -2.20 -21.45 16 21 C -0.02 -0.11 9.74 22.52 0.22 0.11 16 22 C -0.08 -0.22 10.00 22.25 0.22 0.00 16 23 C 0.17 2.26 7.29 22.77 0.17 2.42 16 24 F -0.10 -2.31 15.54 44.97 0.70 -1.61 16 25 H 0.43 5.12 6.86 -92.71 -0.64 4.48 16 26 H 0.17 2.36 8.06 -2.91 -0.02 2.34 16 27 H 0.16 2.85 8.06 -2.91 -0.02 2.83 16 28 H 0.13 4.06 8.06 -2.91 -0.02 4.04 16 29 H 0.08 3.47 8.09 -2.39 -0.02 3.45 16 30 H 0.10 3.83 8.08 -2.39 -0.02 3.81 16 31 H 0.11 4.58 6.41 -2.91 -0.02 4.56 16 32 H 0.19 1.76 6.11 -2.91 -0.02 1.74 16 33 H 0.34 7.39 8.90 -74.06 -0.66 6.73 16 34 H 0.34 7.71 8.90 -74.06 -0.66 7.05 16 35 H 0.21 0.27 7.76 -2.91 -0.02 0.25 16 36 H 0.24 -1.23 8.06 -2.91 -0.02 -1.25 16 Total: -1.00 -102.26 335.91 -3.99 -106.25