REAL300020197903.mol2 38 1 O -0.53 -11.35 15.71 -7.31 -0.11 -11.46 16 2 C 0.53 8.95 7.74 -10.99 -0.09 8.86 16 3 C -0.15 -1.78 4.58 -27.88 -0.13 -1.90 16 4 C 0.13 1.59 3.11 -27.97 -0.09 1.50 16 5 O -0.37 -6.47 14.02 -63.05 -0.88 -7.35 16 6 O -0.59 -9.82 18.54 -56.57 -1.05 -10.87 16 7 C 0.24 2.27 10.28 -38.81 -0.40 1.87 16 8 C -0.12 -0.67 10.09 -39.33 -0.40 -1.06 16 9 C -0.08 -0.19 10.04 -39.59 -0.40 -0.59 16 10 C -0.11 -0.21 10.04 -39.47 -0.40 -0.61 16 11 C -0.09 -0.37 10.03 -39.63 -0.40 -0.77 16 12 C -0.07 -0.60 5.56 -104.36 -0.58 -1.18 16 13 N -0.62 -10.35 3.33 -170.52 -0.57 -10.92 16 14 C 0.10 1.37 6.47 -3.07 -0.02 1.35 16 15 C -0.12 -2.00 6.44 -24.68 -0.16 -2.16 16 16 C 0.02 0.40 3.58 -89.40 -0.32 0.08 16 17 C 0.06 1.72 7.02 -156.72 -1.10 0.62 16 18 N -0.38 -11.41 12.18 32.44 0.40 -11.02 16 19 N -0.20 -6.29 13.47 60.35 0.81 -5.48 16 20 N -0.20 -6.33 13.47 60.35 0.81 -5.52 16 21 N -0.39 -11.77 12.43 32.44 0.40 -11.37 16 22 C 0.12 2.43 6.36 -2.52 -0.02 2.42 16 23 H 0.10 1.11 8.14 -51.93 -0.42 0.69 16 24 H 0.10 0.75 8.14 -51.93 -0.42 0.32 16 25 H 0.10 1.31 7.91 -51.93 -0.41 0.90 16 26 H 0.35 5.15 9.30 45.56 0.42 5.58 16 27 H 0.16 0.70 8.06 -52.48 -0.42 0.28 16 28 H 0.16 -0.12 8.06 -52.49 -0.42 -0.55 16 29 H 0.15 -0.12 8.06 -52.49 -0.42 -0.54 16 30 H 0.16 0.27 8.06 -52.48 -0.42 -0.16 16 31 H 0.07 0.66 8.14 -51.93 -0.42 0.24 16 32 H 0.07 0.78 8.14 -51.93 -0.42 0.35 16 33 H 0.08 1.16 8.14 -51.93 -0.42 0.74 16 34 H 0.09 1.64 7.85 -51.93 -0.41 1.23 16 35 H 0.09 1.73 8.14 -51.93 -0.42 1.31 16 36 H 0.08 1.75 8.01 -51.93 -0.42 1.33 16 37 H 0.07 1.58 8.04 -51.93 -0.42 1.16 16 Total: -1.00 -42.57 326.68 -5.21 -47.77