diff --git a/js/common/model/data/otherMoleculesData.js b/js/common/model/data/otherMoleculesData.js index 76e26870..6240e060 100644 --- a/js/common/model/data/otherMoleculesData.js +++ b/js/common/model/data/otherMoleculesData.js @@ -7495,7 +7495,6 @@ define( require => { 'butane-2,3-diol|C4H10O2|262|3d|16|15|O -0.7966 1.1912 -0.7589|O 0.8041 -1.195 -0.753|C -0.6885 0.3485 0.3866,0-1|C 0.6818 -0.3432 0.3844,1-1,2-1|C -1.8419 -0.648 0.3689,2-1|C 1.841 0.6465 0.3719,3-1|H -0.7706 0.9848 1.2753,2-1|H 0.7682 -0.9788 1.2728,3-1|H -1.8528 -1.2302 -0.5588,4-1|H -2.8007 -0.1198 0.4142,4-1|H -1.7858 -1.3355 1.2182,4-1|H 2.7958 0.1101 0.4002,5-1|H 1.8489 1.2443 -0.5459,5-1|H 1.7957 1.3211 1.232,5-1|H -1.6596 1.6371 -0.715,0-1|H 0.6877 -0.6457 -1.5471,1-1', 'butanedihydroxamic acid|C4H8N2O4|264924|3d|18|17|O 2.5753 -1.3551 0.0531|O -2.5751 -1.3561 -0.0538|O 3.7792 1.0424 -0.2731|O -3.78 1.0437 0.2712|N 2.4264 0.9501 0.0804,2-1|N -2.4267 0.9493 -0.0796,3-1|C 0.463 -0.3131 0.606|C -0.4626 -0.3135 -0.6052,6-1|C 1.9293 -0.3233 0.2164,0-2,4-1,6-1|C -1.9287 -0.3243 -0.2154,1-2,5-1,7-1|H 0.2741 -1.1971 1.2273,6-1|H 0.2563 0.5556 1.2434,6-1|H -0.2566 0.5554 -1.2425,7-1|H -0.2732 -1.1974 -1.2264,7-1|H 1.8962 1.8132 0.1243,4-1|H -1.8899 1.8091 -0.081,5-1|H 3.7523 1.812 -0.8663,2-1|H -4.1783 1.1547 -0.6088,3-1', 'butanehydroxamic acid|C4H9NO2|419176|3d|16|15|O 1.0772 -1.462 0.1976|O 2.6732 0.7212 0.2368|N 1.3401 0.8007 -0.1877,1-1|C -1.7456 0.1661 0.5165|C -0.7992 -0.1776 -0.6301,3-1|C -3.1764 0.3277 0.0295,3-1|C 0.6307 -0.3761 -0.1627,0-2,2-1,4-1|H -1.4196 1.0924 1.0041,3-1|H -1.7057 -0.6207 1.2792,3-1|H -1.1168 -1.106 -1.1198,4-1|H -0.8297 0.6069 -1.396,4-1|H -3.2509 1.1325 -0.7088,5-1|H -3.8365 0.573 0.8673,5-1|H -3.5407 -0.5963 -0.4309,5-1|H 1.0347 1.6826 -0.5831,2-1|H 2.5739 0.9897 1.166,1-1', - 'butane|C4H9|137553|2d|13|12|C 2.866 -0.25|C 3.732 0.25,0-1|C 2.0 0.25,0-1|C 4.5981 -0.25,1-1|H 2.4675 -0.7249,0-1|H 3.2646 -0.7249,0-1|H 3.732 0.87,1-1|H 2.31 0.7869,2-1|H 1.4631 0.56,2-1|H 1.69 -0.2869,2-1|H 4.2881 -0.7869,3-1|H 5.135 -0.56,3-1|H 4.9081 0.2869,3-1', 'butoxy(dihydroxy)amine|C4H11NO3|16414181|3d|19|18|O -0.8642 -0.4536 -0.2862|O -3.134 -0.9319 0.0476|O -2.4487 1.2723 -0.3273|N -2.0884 0.0322 0.3333,0-1,1-1,2-1|C 1.5249 -0.2941 -0.2747|C 2.7441 0.3517 0.3773,4-1|C 0.2271 0.1943 0.3529,0-1,4-1|C 4.0394 -0.1709 -0.2229,5-1|H 1.5122 -0.0819 -1.3511,4-1|H 1.5809 -1.3864 -0.1855,4-1|H 2.742 0.1493 1.4548,5-1|H 2.7012 1.4398 0.2516,5-1|H 0.2176 -0.0424 1.4241,6-1|H 0.1455 1.2812 0.2295,6-1|H 4.0884 0.0417 -1.2956,7-1|H 4.8994 0.3059 0.2576,7-1|H 4.1286 -1.2529 -0.0824,7-1|H -3.3982 -1.1527 0.9565,1-1|H -2.466 1.8636 0.444,2-1', 'butoxyhydrazine|C4H12N2O|23032317|3d|19|18|O -1.2196 0.3777 -0.1192|N -2.4125 -0.4552 -0.0894,0-1|N -3.5681 0.336 0.1524,1-1|C 1.1731 0.3662 -0.0288|C 2.4285 -0.4948 0.0788,3-1|C -0.0923 -0.4792 -6.0E-4,0-1,3-1|C 3.6908 0.3493 0.0068,4-1|H 1.142 1.0971 0.7889,3-1|H 1.1946 0.954 -0.9552,3-1|H 2.4452 -1.2328 -0.7315,4-1|H 2.419 -1.0505 1.0236,4-1|H -0.0821 -1.1934 -0.8333,5-1|H -0.1496 -1.035 0.9434,5-1|H 3.7215 1.0793 0.822,6-1|H 4.5775 -0.2873 0.0874,6-1|H 3.747 0.8913 -0.9426,6-1|H -2.4475 -0.7665 -1.0603,1-1|H -4.3913 -0.2643 0.1311,2-1|H -3.5179 0.7127 1.0978,2-1', 'butoxyphosphine|C4H11OP|19362497|3d|17|16|P -3.2329 -0.1701 -0.0139|O -1.7536 0.4938 0.0023,0-1|C 0.6379 0.377 0.0202|C 1.8574 -0.5403 0.0074,2-1|C -0.6616 -0.4154 0.0046,1-1,2-1|C 3.1527 0.2551 -0.0205,3-1|H 0.6595 1.0255 0.905,2-1|H 0.6611 1.0507 -0.8457,2-1|H 1.8218 -1.1962 -0.8703,3-1|H 1.8483 -1.1844 0.8943,3-1|H -0.695 -1.0464 -0.8934,4-1|H -0.7076 -1.0597 0.8924,4-1|H 3.2355 0.9006 0.8598,5-1|H 4.0129 -0.4215 -0.0278,5-1|H 3.2078 0.8842 -0.9147,5-1|H -3.2812 -0.588 1.3373,0-1|H -3.9824 1.01 0.2037,0-1',