REAL300013493701.mol2 34 1 C -0.12 -2.29 8.98 37.16 0.33 -1.96 16 2 C -0.17 -3.77 2.84 -91.77 -0.26 -4.03 16 3 C 0.16 3.04 4.41 -4.05 -0.02 3.02 16 4 N -0.72 -9.41 5.29 -65.23 -0.34 -9.76 16 5 C 0.70 8.55 8.41 -86.91 -0.73 7.82 16 6 O -0.56 -8.80 13.79 5.29 0.07 -8.73 16 7 N -0.68 -5.18 5.34 -14.23 -0.08 -5.25 16 8 C 0.23 1.71 6.29 -83.69 -0.53 1.19 16 9 C -0.10 -0.69 8.70 -39.39 -0.34 -1.03 16 10 C -0.04 -0.19 10.04 -39.61 -0.40 -0.59 16 11 C -0.13 -0.81 8.62 -39.55 -0.34 -1.15 16 12 C 0.39 3.59 4.82 -39.61 -0.19 3.39 16 13 F -0.02 -0.35 16.67 2.25 0.04 -0.31 16 14 F -0.22 -3.17 15.31 2.25 0.03 -3.13 16 15 F -0.25 -3.68 15.30 2.25 0.03 -3.65 16 16 F -0.19 -2.77 15.31 2.25 0.03 -2.74 16 17 F -0.12 -1.73 15.31 2.25 0.03 -1.69 16 18 C -0.16 -1.19 8.54 -39.39 -0.34 -1.52 16 19 C 0.50 15.31 7.39 36.01 0.27 15.57 16 20 O -0.69 -23.60 17.83 -20.23 -0.36 -23.96 16 21 O -0.69 -23.16 16.82 -20.23 -0.34 -23.50 16 22 H 0.05 0.96 8.14 -51.93 -0.42 0.54 16 23 H 0.04 0.50 7.18 -51.93 -0.37 0.13 16 24 H 0.06 1.20 8.09 -51.93 -0.42 0.78 16 25 H 0.07 1.40 8.14 -51.93 -0.42 0.98 16 26 H 0.07 1.51 8.14 -51.93 -0.42 1.09 16 27 H 0.08 1.60 7.95 -51.93 -0.41 1.19 16 28 H 0.40 3.89 7.67 -40.82 -0.31 3.58 16 29 H 0.42 1.80 8.84 -40.82 -0.36 1.44 16 30 H 0.18 1.44 6.24 -52.49 -0.33 1.11 16 31 H 0.18 0.16 8.06 -52.49 -0.42 -0.26 16 32 H 0.18 0.95 7.39 -52.49 -0.39 0.56 16 33 H 0.18 1.20 7.39 -52.48 -0.39 0.82 16 Total: -1.00 -41.99 309.23 -3.43 -45.42