* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/10/82/01/02SRC131.mol"
Structure: 1
InChI=1/2C13H13P.C2H3N.ClH.F5P.FH.H2NO.Ru/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3;;1-6(2,3,4)5;;1-2;/h2*2-11H,1H3;1H3;1H;;1H;1-2H;/q;;;;;;-1;/p+1
AuxInfo=1/1/N:64,25,36,23,27,34,38,21,29,32,40,20,31,5;67,47,58,45,49,56,60,43,51,54,62,42,53,6;16,15,14;3;9,10,11,12,13,7;8;2,1;4/E:2*(2,3)(4,5,6,7)(8,9,10,11)(12,13);;;(1,2,3,4,5);;;/CRV:;;;;;;1-1;/rA:69nONClRuPPPFFFFFFNCCHHHCCHCHCHCHCHCCHCHCHCHCHCCHCHCHCHCHCCHCHCHCHCHCHHCHH/rB:s1;;s2s3;s4;s4;;;s7;s7;s7;s7;s7;;t14;s15;s16;s16;s16;s5;s20;s21;d21;s23;s23;s25;d25;s27;d20s27;s29;s5;s31;s32;d32;s34;s34;s36;d36;s38;d31s38;s40;s6;d42;s43;s43;s45;d45;s47;s47;s49;s42d49;s51;s6;s53;s54;d54;s56;s56;s58;d58;s60;d53s60;s62;s5;s64;s64;s6;s67;s67;/rC:.1228,2.9093,11.661;-.091,1.7901,11.6847;-.7542,-2.2301,11.2859;-.4069,0,11.4471;-1.0601,-.0465,13.8343;2.0157,-.4346,11.6871;2.1012,-7.7336,15.7219;3.3657,-6.9444,15.3014;1.2548,-6.5431,16.0003;2.9784,-8.8902,15.3851;.8907,-8.4928,16.2523;2.6677,-8.0261,16.914;1.5807,-7.9055,14.4515;6.773,-2.6406,13.381;6.7961,-1.6182,13.8677;6.8295,-.3245,14.4781;7.7226,-.16,14.8464;6.1667,-.2862,15.199;6.622,.3588,13.8069;-1.3816,-1.6557,14.5994;-2.5045,-1.8122,15.4036;-3.113,-1.0913,15.5153;-2.737,-3.0236,16.0443;-3.5044,-3.1306,16.594;-1.8467,-4.0785,15.8809;-2.0057,-4.9064,16.3188;-.7238,-3.922,15.0767;-.1154,-4.6429,14.965;-.4913,-2.7106,14.4359;.2762,-2.6036,13.8863;-.0153,.8591,15.0027;.9342,.1897,15.7659;.9908,-.7579,15.7295;1.801,.9069,16.5823;2.4499,.4494,17.1039;1.7182,2.2934,16.6355;2.3106,2.7835,17.1935;.7687,2.9628,15.8724;.7121,3.9104,15.9087;-.098,2.2456,15.0559;-.747,2.7031,14.5343;2.549,-1.7635,12.797;2.2667,-3.0797,12.4508;1.8542,-3.2736,11.6173;2.5878,-4.1123,13.3242;2.3948,-5.0119,13.0875;3.1912,-3.8286,14.5438;3.4107,-4.5344,15.1407;3.4736,-2.5124,14.89;3.8861,-2.3185,15.7236;3.1525,-1.4798,14.0167;3.3455,-.5802,14.2533;3.1368,.9256,12.0588;2.8173,1.8376,13.0579;1.9796,1.7812,13.5024;3.7235,2.8322,13.4067;3.5051,3.4556,14.0895;4.9492,2.9148,12.7563;5.5685,3.5946,12.9947;5.2687,2.0028,11.7572;6.1064,2.0593,11.3127;4.3625,1.0082,11.4085;4.5809,.3849,10.7256;-2.6546,.7969,13.9017;-3.2263,.2819,14.5246;-2.4963,1.6783,14.3236;2.5298,-1.0067,10.0377;3.4252,-.6192,9.8695;2.654,-1.9867,10.1035;