* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/40/01/2009src1088.mol" Structure: 1 InChI=1/3C12H28OP.3HNO3.Pr/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;3*(H-,2,3,4);/q6*-1;+6 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;125,126,127,128;129,130,131,132;133,134,135,136;1/E:3*(1,2,3,4,5,6)(7,8,9)(10,11,12);3*(2,3,4);/CRV:3*13-1;2*1.4,2-1;1.4,3-1;/rA:136nPrCHHCHCHHHCHHHCHHCHCHHHCHHHCHHCHCHHHCHHHOPCHHCHCHHHCHHHCHHCHCHHHCHHHCHHCHCHHHCHHHOPCHHCHCHHHCHHHCHHCHCHHHCHHHCHHCHCHHHCHHHOPN4OOON4OOON4OOO/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;;s1s125;d125;s125;;s1s129;d129;s129;;d133;s1s133;s133;/rC:11.7413,6.4125,2.019;8.3494,3.4953,1.8929;7.4689,3.1062,1.6616;8.9403,3.3913,1.1055;8.9524,2.698,3.0797;9.4983,3.3132,3.6486;9.8377,1.6067,2.533;10.1423,1.0343,3.2678;10.6134,2.0075,2.088;9.3327,1.069,1.8877;7.8548,2.0699,3.9265;7.234,1.5814,3.3466;7.3691,2.7733,4.4058;8.2544,1.4507,4.5724;6.9843,5.4858,3.6107;6.1662,4.9652,3.4112;7.3947,5.0875,4.4188;6.5617,6.9094,3.9532;6.3572,7.3836,3.0968;5.3258,6.9435,4.8062;4.6357,6.3754,4.4044;4.9961,7.8644,4.867;5.5391,6.613,5.7038;7.6883,7.6799,4.6627;7.8577,7.2767,5.5397;7.4211,8.6155,4.7794;8.504,7.6382,4.121;7.3254,6.073,.825;6.3837,5.7679,.8054;7.3112,7.0458,1.0083;7.9008,5.8767,-.5688;8.8938,5.804,-.4763;7.4109,4.6083,-1.259;7.6955,3.8251,-.7434;7.7897,4.5605,-2.1616;6.4327,4.6243,-1.3157;7.6094,7.1091,-1.4114;6.6411,7.2535,-1.4551;7.9611,6.9765,-2.3165;8.0384,7.8912,-1.0055;9.4587,5.906,2.5295;8.136,5.2609,2.2338;14.0637,8.8597,-1.0253;14.3458,7.9325,-1.2271;13.1143,8.9395,-1.2942;14.8833,9.8021,-1.9238;15.7996,9.8832,-1.5316;15.0187,9.2125,-3.3046;15.4529,8.336,-3.2443;15.5613,9.8082,-3.8624;14.13,9.11,-3.7046;14.3054,11.212,-2.0696;14.8544,11.7268,-2.6972;14.3042,11.6564,-1.1961;13.3877,11.1554,-2.4086;13.3141,10.6369,1.1979;13.9306,11.3801,.9793;12.5236,10.7299,.6091;12.8524,10.8216,2.6287;12.5175,9.9441,2.9722;11.7411,11.8125,2.69;12.0031,12.6271,2.2122;11.5488,12.0302,3.6259;10.9406,11.4318,2.272;14.0208,11.2949,3.5334;14.3388,12.1692,3.2256;14.7536,10.6458,3.4869;13.7079,11.3685,4.4592;15.8983,9.1687,1.234;16.2466,10.0452,.9331;15.9526,9.1567,2.2225;16.8364,8.083,.6999;16.7903,8.1044,-.2989;16.4411,6.682,1.1537;16.1501,6.7116,2.089;17.2114,6.082,1.07;15.7077,6.3521,.5937;18.2715,8.4167,1.1076;18.4944,9.3223,.8067;18.8861,7.7747,.6948;18.3539,8.3671,2.0829;13.4323,7.932,1.4655;14.1456,9.0796,.7729;13.4797,6.764,6.3666;13.4026,6.5466,7.3294;13.8354,5.964,5.9045;14.485,7.9316,6.1947;14.037,8.802,6.3988;15.0181,7.9458,4.8016;15.8804,8.4112,4.7865;14.3857,8.4105,4.2145;15.1384,7.025,4.4884;15.7099,7.7516,7.0888;16.0744,6.8503,6.9659;15.4511,7.8744,8.026;16.3902,8.4147,6.8482;11.1882,8.699,6.3753;11.247,9.342,5.6248;10.222,8.5434,6.5248;11.6516,9.4523,7.5713;12.6439,9.3577,7.6512;11.3089,10.8834,7.5248;12.1103,11.4044,7.3084;10.962,11.1648,8.3971;10.6263,11.0337,6.8378;10.9771,8.7946,8.8147;10.0327,8.6198,8.6197;11.0456,9.4003,9.582;11.4292,7.9506,9.0234;10.7253,5.7862,6.2092;9.9092,6.2218,6.5618;10.4565,5.3361,5.3694;11.0562,4.6569,7.1999;12.0283,4.4317,7.1346;10.2341,3.4322,6.8748;9.3012,3.6943,6.7287;10.2825,2.7987,7.621;10.5854,3.0089,6.0637;10.7585,5.2186,8.5844;11.5973,5.4827,9.0171;10.3131,4.5339,9.1259;10.1737,6.0005,8.5009;11.7818,7.2752,4.2195;11.825,7.1346,5.7124;12.0684,4.5263,-.3131;11.055,4.4678,.4574;12.9289,5.443,-.0889;12.1874,3.7148,-1.2394;10.3501,8.7249,.6244;10.7488,7.6829,-.0091;10.4561,8.6693,1.902;9.8486,9.6419,.0226;13.2434,4.4221,3.6589;13.8608,5.2845,3.0032;11.9895,4.2707,3.4081;13.7908,3.761,4.5533;