* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/88/01/02SRC305.mol"
Structure: 1
InChI=1/C22H28NO2P/c1-22(2,3)25-21(24)23-16-10-11-18(23)17-26(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,18H,10-11,16-17H2,1-3H3/t18-/m0/s1
AuxInfo=1/0/N:16,20,22,24,25,23,26,15,17,18,13,14,21,12,6,19,5,9,7,11,8,10,4,3,2,1/E:(1,2,3)(4,5)(6,7,8,9)(12,13,14,15)(19,20)/it:im/rA:54nPOONCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;;s1;s2d3s4;s4s5;s2;s1s6;d11;s9;d7;s12;s10;d6;s13;s4s18;s10;s7;s10;s14;d23;d15s17;d21s24;s5;s12;s22;s9;s5;s13;s20;s18;s19;s16;s6;s21;s25;s22;s14;s15;s13;s22;s18;s20;s16;s20;s23;s24;s17;s16;s26;s19;/rC:4.6412,9.1277,19.0789;.0047,5.8947,16.7254;.2958,7.9475,17.7034;1.8505,6.2914,17.8605;3.5695,8.0814,17.9911;4.7186,11.1673,17.0779;3.4602,10.3311,19.7809;.6754,6.8141,17.4557;2.7517,7.0372,18.7648;-1.3391,6.1876,16.1927;5.4159,10.1942,17.7958;6.7781,10.0442,17.54;3.6071,5.9148,19.3448;2.1164,10.4608,19.4308;7.4047,10.8181,16.5782;-2.3061,6.4402,17.3378;5.3559,11.9452,16.1293;3.6915,4.8936,18.2037;2.3099,4.9225,17.5843;-1.6882,4.8908,15.4908;3.9791,11.204,20.7366;-1.2673,7.3361,15.2178;1.3419,11.4469,20.0127;1.8801,12.3177,20.9424;6.7049,11.7577,15.8781;3.2012,12.1905,21.3088;2.9666,8.6518,17.4674;7.1944,9.4024,18.0449;-2.1071,7.4102,14.7828;2.1774,7.4934,19.4419;4.2248,7.6063,17.4144;4.4515,6.2239,19.6681;-1.6015,4.1406,16.1137;4.3944,5.2108,17.5412;1.7114,4.294,18.0714;-3.2255,6.6681,16.9462;3.7573,11.2657,17.2735;4.8853,11.0852,20.9768;7.0909,12.3017,15.2035;-1.0418,8.1831,15.6568;1.7103,9.8953,18.8166;8.3407,10.6476,16.4261;3.1682,5.4986,20.0752;-.6128,7.19,14.5204;3.9206,3.9516,18.5028;-1.0608,4.7059,14.7088;-2.4176,5.6267,17.853;-2.6064,4.9655,15.1474;.4818,11.5384,19.7592;1.2987,12.9685,21.3369;4.9263,12.6307,15.7227;-2.0231,7.2433,17.8956;3.5612,12.8364,22.0266;2.3457,4.7534,16.6008;