* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/41/01/2009src1089.mol" Structure: 1 InChI=1/3C12H28OP.Ce.H2NO3.2HNO3/c3*1-10(2)7-14(13,8-11(3)4)9-12(5)6;;3*2-1(3)4/h3*10-12,14H,7-9H2,1-6H3;;(H2,2,3,4);(H-,2,3,4);2H/q3*-1;+6;;-1;-2 AuxInfo=1/1/N:7,11,20,24,33,37,2,15,28,5,18,31,41,42;48,52,61,65,74,78,43,56,69,46,59,72,82,83;89,93,102,106,115,119,84,97,110,87,100,113,123,124;1;125,126,127,128;129,130,131,132;133,136,134,135/E:3*(1,2,3,4,5,6)(7,8,9)(10,11,12);;2*(2,3,4);(3,4)/CRV:3*13-1;;1.4;1.4,2-1;3-1,4-1/rA:136nCeCHHCHCHHHCHHHCHHCHCHHHCHHHCHHCHCHHHCHHHOPCHHCHCHHHCHHHCHHCHCHHHCHHHCHHCHCHHHCHHHOPCHHCHCHHHCHHHCHHCHCHHHCHHHCHHCHCHHHCHHHOPN4OOON4OOONOOO/rB:;s2;s2;s2;s5;s5;s7;s7;s7;s5;s11;s11;s11;;s15;s15;s15;s18;s18;s20;s20;s20;s18;s24;s24;s24;;s28;s28;s28;s31;s31;s33;s33;s33;s31;s37;s37;s37;s1;s2s15s28s41;;s43;s43;s43;s46;s46;s48;s48;s48;s46;s52;s52;s52;;s56;s56;s56;s59;s59;s61;s61;s61;s59;s65;s65;s65;;s69;s69;s69;s72;s72;s74;s74;s74;s72;s78;s78;s78;s1;s43s56s69s82;;s84;s84;s84;s87;s87;s89;s89;s89;s87;s93;s93;s93;;s97;s97;s97;s100;s100;s102;s102;s102;s100;s106;s106;s106;;s110;s110;s110;s113;s113;s115;s115;s115;s113;s119;s119;s119;s1;s84s97s110s123;;d125;s125;s125;;s1s129;d129;s129;;s1s133;s1s133;s133;/rC:9.7686,13.6658,2.0113;5.5964,16.4228,1.215;5.5455,16.4172,2.2037;5.2417,17.2953,.9099;4.6782,15.3513,.7035;4.7188,15.3738,-.2955;3.2128,15.6827,1.1189;2.6044,15.0233,.7245;2.9768,16.578,.7978;3.1359,15.6551,2.0955;5.0575,13.9474,1.1428;5.9371,13.7172,.7772;4.3898,13.3104,.8131;5.0902,13.9091,2.1215;7.4296,16.1337,-1.0309;8.3791,16.2204,-1.2976;7.1581,15.2028,-1.2303;6.6132,17.0529,-1.9419;5.6952,17.1332,-1.5534;7.1867,18.4527,-2.0746;7.3186,18.8376,-1.1831;6.565,19.0135,-2.5839;8.0467,18.4103,-2.5426;6.48,16.4711,-3.3278;7.3704,16.3568,-3.721;5.9513,17.0776,-3.8873;6.032,15.6011,-3.2752;8.1811,17.9109,1.1771;8.9824,18.0002,.6027;7.5697,18.6547,.9467;8.6095,18.0862,2.6031;8.9268,17.2048,2.953;9.7717,19.0869,2.6643;10.4917,18.7881,2.0705;10.1076,19.1416,3.5833;9.4577,19.9701,2.3782;7.4779,18.5839,3.4896;7.1085,19.4105,3.1146;7.8216,18.7589,4.3905;6.7746,17.9029,3.5348;8.0577,15.2058,1.4435;7.3517,16.3451,.7501;14.5575,12.7711,3.5857;14.1728,12.3444,4.3919;15.3908,12.2833,3.3671;14.9336,14.1851,3.9484;15.1422,14.6687,3.0984;16.2189,14.1897,4.8156;15.9994,13.9026,5.7266;16.5935,15.0949,4.8398;16.8763,13.5743,4.4287;13.8138,14.9457,4.646;13.0463,15.024,4.0416;14.1297,15.8405,4.8905;13.5447,14.4619,5.4547;13.1853,10.7594,1.9072;12.5869,10.6522,1.1258;14.0651,10.3771,1.6622;12.6049,9.9356,3.0844;12.0548,10.5443,3.6561;11.7026,8.8518,2.5304;12.214,8.2819,1.9189;10.9567,9.2637,2.0462;11.3534,8.309,3.2678;13.7036,9.3335,3.9414;13.3024,8.8201,4.6735;14.2592,10.0508,4.3116;14.2583,8.7408,3.3924;14.2164,13.3224,.8036;14.2615,14.2938,.989;15.1478,12.9894,.7636;13.6063,13.1426,-.555;12.6152,13.0669,-.4453;14.1116,11.8692,-1.2491;13.7269,11.813,-2.1487;13.8412,11.0842,-.7285;15.0891,11.898,-1.313;13.8929,14.3334,-1.4192;13.5904,15.1473,-.9648;13.4188,14.2399,-2.2719;14.8569,14.3915,-1.5861;12.059,13.1477,2.5158;13.3986,12.5214,2.223;10.3803,15.9668,6.305;11.3522,15.8379,6.1676;10.1052,16.5874,5.5844;10.3597,16.8252,7.4522;9.3951,16.998,7.6515;10.9279,16.0091,8.6966;10.5885,15.0902,8.6671;10.6377,16.438,9.5286;11.9072,15.997,8.6596;11.02,18.1784,7.3807;11.9936,18.0674,7.3856;10.7485,18.7156,8.154;10.747,18.6318,6.5559;10.7713,13.0042,6.123;10.9541,12.5303,5.2733;11.6329,13.3933,6.417;10.4144,11.9192,7.1536;9.4436,11.6916,7.0778;10.7004,12.4872,8.5451;10.9062,11.7535,9.1614;9.9132,12.9736,8.8676;11.4652,13.0982,8.4977;11.2412,10.6852,6.9179;12.1886,10.9312,6.8691;10.9688,10.2656,6.0752;11.1049,10.0548,7.6557;8.0494,14.0604,6.3729;7.6909,13.2497,5.9322;8.1332,13.8609,7.3389;7.0518,15.174,6.2027;7.4123,16.0313,6.5703;5.7621,14.7531,6.9554;5.3142,14.0358,6.4602;5.161,15.5235,7.0295;5.9964,14.4342,7.8519;6.634,15.3429,4.8009;7.3523,15.7784,4.2961;5.8269,15.8975,4.7651;6.4448,14.465,4.4084;9.7524,14.5175,4.2047;9.7107,14.3884,5.708;9.4513,11.7673,-.3376;10.4658,11.7273,.4139;8.5982,12.6853,-.1219;9.3353,10.9527,-1.249;11.1978,15.9769,.5958;10.7552,14.9504,-.0248;11.6665,16.9201,-.0063;11.0643,15.9427,1.887;8.2867,11.6532,3.6548;9.5248,11.509,3.3775;7.6558,12.5325,3.0141;7.7509,11.0013,4.5588;