C -3.161500 0.874700 0.502500 H -2.804800 -0.134100 0.502500 H -2.804800 1.379100 -0.371200 H -4.231500 0.874700 0.502500 *+0 -2.728100 1.487700 1.564200 1 2 1 1 3 1 1 4 1 1 5 1