PC-Compounds ::= { { id { id cid 54662893 }, 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, 56, 57, 58, 59, 60, 61, 62 }, element { o, o, o, o, n, 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, 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, h, h, h } }, bonds { aid1 { 1, 1, 2, 3, 4, 4, 5, 5, 5, 6, 6, 6, 7, 7, 7, 8, 8, 8, 9, 9, 9, 9, 10, 10, 11, 11, 11, 12, 12, 13, 13, 14, 15, 15, 17, 17, 18, 19, 19, 20, 21, 21, 21, 22, 22, 22, 23, 23, 24, 24, 25, 25, 26, 26, 26, 27, 27, 28, 28, 29, 29, 30, 30, 32, 32, 32 }, aid2 { 15, 48, 16, 18, 31, 32, 10, 12, 39, 13, 14, 18, 16, 21, 22, 23, 24, 26, 10, 11, 13, 33, 14, 34, 12, 15, 35, 16, 36, 37, 38, 17, 40, 41, 20, 42, 19, 20, 25, 43, 23, 44, 45, 24, 46, 47, 49, 50, 51, 52, 27, 28, 53, 54, 55, 29, 56, 30, 57, 31, 58, 31, 59, 60, 61, 62 }, order { single, single, 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, double, single, single, single, single, single, double, single, single, single, single, single, single, single, single, single, single, single, single, double, single, single, single, single, single, single, double, single, double, single, single, single, single, single, single } }, stereo { tetrahedral { center 9, above 10, top 11, bottom 13, below 33, parity clockwise, type tetrahedral }, tetrahedral { center 10, above 5, top 9, bottom 14, below 34, parity clockwise, type tetrahedral }, tetrahedral { center 11, above 9, top 15, bottom 12, below 35, parity counterclockwise, type tetrahedral }, tetrahedral { center 12, above 5, top 16, bottom 11, below 36, parity counterclockwise, type tetrahedral } }, 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, 56, 57, 58, 59, 60, 61, 62 }, conformers { { x { { 16381, 10, -4 }, { 2791, 10, -3 }, { -305, 10, -2 }, { -83371, 10, -4 }, { 20932, 10, -4 }, { -109, 10, -2 }, { 46781, 10, -4 }, { 74764, 10, -4 }, { 11407, 10, -4 }, { 10206, 10, -4 }, { 19257, 10, -4 }, { 28939, 10, -4 }, { -2863, 10, -4 }, { -382, 10, -3 }, { 26232, 10, -4 }, { 34414, 10, -4 }, { -9476, 10, -4 }, { -24103, 10, -4 }, { -30464, 10, -4 }, { -23145, 10, -4 }, { 54112, 10, -4 }, { 52791, 10, -4 }, { 68946, 10, -4 }, { 67623, 10, -4 }, { -44326, 10, -4 }, { 89008, 10, -4 }, { -53843, 10, -4 }, { -47932, 10, -4 }, { -66964, 10, -4 }, { -61054, 10, -4 }, { -70569, 10, -4 }, { -86371, 10, -4 }, { 17013, 10, -4 }, { 11188, 10, -4 }, { 12378, 10, -4 }, { 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