* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/41/01/2009src0114.mol" Structure: 1 InChI=1/C16H13N2O.C6H12N3P.ClH.Pd/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12;1-7-2-9-3-8(1)5-10(4-7)6-9;;/h2-7,9-10H,11H2,1H3;1-6H2;1H;/q-1;;;+1/b16-12-;;; AuxInfo=1/1/N:26,21,19,23,10,8,17,25,12,6,1,16,14,5,4,15,48,49,53;33,42,45,30,36,39,50,51,52,54;55;56/E:;(1,2,3)(4,5,6)(7,8,9);;/CRV:8.2,17-1;;;/rA:56nCHHCCCHCHCHCHCCCCHCHCHCHCCHHHCHHCHHCHHCHHCHHCHHNNNNNOPClPd/rB:s1;s1;s1;;d5;s6;s6;s8;d8;s10;s10;s12;s5d12;s14;d15;s16;s17;d17;s19;s19;s21;d21;s23;s16s23;;s26;s26;s26;;s30;s30;;s33;s33;;s36;s36;;s39;s39;;s42;s42;;s45;s45;s1s15;s4s5s26;s30s33s42;s33s36s45;s39s42s45;d4;s30s36s39;;d25s48s54s55;/rC:3.2854,9.8645,5.5773;3.3523,10.4836,4.8071;3.422,10.385,6.4079;1.9255,9.2092,5.5959;2.2767,8.7236,3.2005;1.5626,8.9737,2.0237;.6158,9.0445,2.0609;2.2009,9.1185,.8155;1.6966,9.2678,.0244;3.5874,9.0476,.7563;4.0356,9.1867,-.0697;4.3206,8.7706,1.9098;5.2677,8.7126,1.8634;3.6752,8.5787,3.1377;4.4801,8.2373,4.3331;5.4831,7.1538,4.3401;5.7577,6.3394,3.2388;5.343,6.5221,2.4036;6.6188,5.278,3.3503;6.816,4.7459,2.5883;7.2016,4.979,4.5701;7.7828,4.2318,4.6514;6.9343,5.7792,5.6761;7.3316,5.5585,6.5102;6.1,6.898,5.5994;.2225,7.9965,4.3738;.0134,7.6068,5.2486;.1866,7.2983,3.6872;-.4319,8.6956,4.1635;8.22,6.2543,8.7557;7.7931,5.3659,8.657;8.8498,6.3759,8.0018;8.0662,6.0888,11.1721;7.5696,5.2441,11.028;8.6165,5.9737,11.9876;6.1066,7.2058,10.3182;5.4329,7.903,10.5203;5.6374,6.3361,10.2613;7.9691,9.0024,9.1995;8.5926,9.2203,8.4618;7.3947,9.7934,9.354;9.6514,7.5951,10.1997;10.2677,7.5299,10.9722;10.1978,7.7733,9.3935;7.853,8.4205,11.5392;7.2033,9.1612,11.6379;8.393,8.384,12.3674;4.3033,8.8176,5.4681;1.5714,8.5829,4.4075;8.9645,6.3018,10.0301;7.1031,7.1542,11.4125;8.7441,8.7279,10.4158;1.2194,9.187,6.5717;6.9099,7.5809,8.6889;4.5649,9.7042,8.6233;5.4915,8.1449,7.0411;