PC-Compounds ::= { { id { id cid 57617827 }, atoms { aid { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55 }, element { o, o, n, n, n, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h } }, bonds { aid1 { 1, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 6, 6, 6, 6, 7, 7, 7, 8, 8, 8, 9, 9, 10, 10, 11, 11, 11, 12, 12, 12, 13, 13, 14, 14, 15, 15, 16, 16, 17, 19, 19, 20, 20, 21, 22, 22, 23, 24, 24, 24, 25, 25, 26, 26, 27, 27, 28 }, aid2 { 17, 18, 9, 10, 12, 13, 17, 18, 18, 23, 48, 7, 8, 11, 29, 9, 30, 31, 10, 32, 33, 34, 35, 36, 37, 14, 38, 39, 13, 40, 41, 42, 43, 15, 16, 19, 44, 20, 45, 22, 21, 46, 21, 47, 24, 23, 25, 26, 50, 51, 52, 27, 49, 28, 53, 28, 54, 55 }, order { double, double, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, double, single, single, single, double, single, single, double, single, single, single, single, single, double, double, single, single, single, single, single, single, single, double, single, single } }, coords { { type { threed, computed, units-angstroms }, aid { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55 }, conformers { { x { { 26065, 10, -4 }, { 39572, 10, -4 }, { -3773, 10, -4 }, { 3201, 10, -3 }, { 54916, 10, -4 }, { -32859, 10, -4 }, { -2483, 10, -3 }, { -25352, 10, -4 }, { -10438, 10, -4 }, { -10941, 10, -4 }, { -46892, 10, -4 }, { 10122, 10, -4 }, { 1837, 10, -3 }, { -56388, 10, -4 }, { -57937, 10, -4 }, { -63669, 10, -4 }, { 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