REAL300018613176.mol2 47 1 O -0.67 -6.79 15.80 -20.22 -0.32 -7.11 16 2 C 0.50 4.53 6.46 36.00 0.23 4.76 16 3 O -0.63 -9.63 18.00 -20.23 -0.36 -9.99 16 4 C 0.00 0.00 2.51 -70.02 -0.18 -0.17 16 5 N -0.47 2.06 1.06 -110.46 -0.12 1.95 16 6 H 0.42 -2.38 6.52 -39.29 -0.26 -2.64 16 7 H 0.42 -2.40 6.59 -39.29 -0.26 -2.66 16 8 C 0.05 -0.22 4.29 -4.98 -0.02 -0.24 16 9 C -0.13 0.86 5.38 -104.29 -0.56 0.30 16 10 C -0.05 0.43 9.66 -39.63 -0.38 0.05 16 11 C -0.10 1.04 10.04 -39.48 -0.40 0.64 16 12 C -0.05 0.49 10.03 -39.63 -0.40 0.09 16 13 C -0.11 0.80 9.76 -39.25 -0.38 0.41 16 14 C 0.32 -1.65 9.74 -38.72 -0.38 -2.03 16 15 O -0.72 0.88 12.17 -57.73 -0.70 0.17 16 16 O -0.61 -1.04 17.28 -57.73 -1.00 -2.03 16 17 C -0.10 -0.16 4.82 -104.56 -0.50 -0.66 16 18 C -0.12 -0.05 9.29 -39.63 -0.37 -0.42 16 19 C -0.10 -0.09 9.43 -39.25 -0.37 -0.46 16 20 C -0.03 -0.06 5.88 -104.90 -0.62 -0.68 16 21 C -0.05 -0.10 5.88 -104.90 -0.62 -0.71 16 22 C -0.11 -0.15 9.43 -39.25 -0.37 -0.52 16 23 C -0.12 -0.10 10.03 -39.63 -0.40 -0.49 16 24 C -0.12 -0.07 10.04 -39.52 -0.40 -0.47 16 25 C -0.12 -0.07 10.03 -39.63 -0.40 -0.47 16 26 C -0.11 -0.12 9.43 -39.25 -0.37 -0.49 16 27 C -0.10 -0.18 9.43 -39.25 -0.37 -0.55 16 28 C -0.08 -0.17 9.65 -39.63 -0.38 -0.55 16 29 H 0.14 0.09 7.91 -51.93 -0.41 -0.32 16 30 H 0.16 -0.53 6.03 -51.93 -0.31 -0.84 16 31 H 0.15 -0.46 6.33 -51.93 -0.33 -0.79 16 32 H 0.18 -1.72 8.04 -52.49 -0.42 -2.14 16 33 H 0.17 -1.98 8.06 -52.49 -0.42 -2.40 16 34 H 0.17 -2.08 8.06 -52.49 -0.42 -2.50 16 35 H 0.18 -1.22 7.80 -52.48 -0.41 -1.63 16 36 H 0.34 -0.54 8.91 45.56 0.41 -0.14 16 37 H 0.35 -0.15 8.91 45.56 0.41 0.26 16 38 H 0.12 -0.28 6.76 -52.49 -0.36 -0.64 16 39 H 0.13 -0.16 6.21 -52.48 -0.33 -0.48 16 40 H 0.13 -0.03 6.21 -52.48 -0.33 -0.36 16 41 H 0.13 -0.13 8.06 -52.48 -0.42 -0.55 16 42 H 0.12 -0.15 8.06 -52.49 -0.42 -0.57 16 43 H 0.13 -0.16 8.06 -52.48 -0.42 -0.59 16 44 H 0.13 -0.10 6.21 -52.49 -0.33 -0.43 16 45 H 0.13 -0.01 6.21 -52.49 -0.33 -0.33 16 46 H 0.13 0.15 8.03 -52.48 -0.42 -0.27 16 Total: 0.00 -23.78 382.48 -10.14 -33.92