* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/23/01/2009src0001.mol"
Structure: 1
InChI=1/C22H35BN2O4/c1-20(2,3)27-19(26)25-14-12-24(13-15-25)16-17-10-8-9-11-18(17)23-28-21(4,5)22(6,7)29-23/h8-11H,12-16H2,1-7H3
AuxInfo=1/0/N:46,50,54,3,7,11,15,24,22,26,20,32,41,35,38,29,28,19,44,45,1,2,58,59,60,63,64,61,62/E:(1,2,3)(4,5,6,7)(12,13)(14,15)(21,22)(28,29)/rA:64nCCCHHHCHHHCHHHCHHHCCHCHCHCHCCHHCHHCHHCHHCHHCCCHHHCHHHCHHHBNNOOOO/rB:s1;s1;s3;s3;s3;s1;s7;s7;s7;s2;s11;s11;s11;s2;s15;s15;s15;;s19;s20;d20;s22;s22;s24;d24;s26;d19s26;s28;s29;s29;;s32;s32;s32;s35;s35;;s38;s38;s38;s41;s41;;;s45;s46;s46;s46;s45;s50;s50;s50;s45;s54;s54;s54;s19;s29s32s41;s35s38s44;s1s58;s2s58;d44;s44s45;/rC:.3983,-.4768,8.4699;.3851,1.081,8.4778;-.1289,-1.0605,7.1679;-.2978,-2.0187,7.2844;.5353,-.9306,6.4588;-.9629,-.6085,6.9217;1.7197,-1.117,8.852;1.9848,-.8105,9.7451;2.4068,-.8623,8.2022;1.6209,-2.0923,8.8588;1.2729,1.6901,9.5572;1.0799,2.6474,9.637;2.2144,1.5651,9.3149;1.0949,1.2493,10.4141;.6565,1.736,7.1354;-.0266,1.4551,6.4904;1.5409,1.4656,6.8125;.6294,2.7105,7.2359;-2.7545,.2072,10.4121;-2.8223,-.7721,11.4102;-2.0945,-1.3733,11.5167;-3.9192,-.8904,12.247;-3.9353,-1.5564,12.9244;-4.9945,-.0296,12.0899;-5.7506,-.0992,12.6609;-4.9593,.9339,11.0942;-5.7034,1.5131,10.9817;-3.8598,1.0713,10.2566;-3.8566,2.1169,9.1673;-4.6379,2.7131,9.2845;-3.0379,2.6672,9.2451;-3.54,2.4708,6.8028;-2.6432,2.8404,6.9994;-4.1881,3.2194,6.8023;-3.5296,1.8063,5.4407;-3.3383,2.4825,4.7436;-2.8146,1.1217,5.4115;-5.2632,.2612,6.2096;-4.6697,-.5311,6.2336;-6.1827,-.0473,6.0117;-5.2362,.9635,7.5556;-5.9004,1.6981,7.558;-5.4854,.3226,8.2675;-5.4906,1.4586,4.0313;-7.5695,.9955,2.8278;-6.9338,.6115,1.5026;-6.1513,1.1779,1.3391;-7.5843,.7369,.7805;-6.6568,-.3282,1.5328;-8.0309,2.4357,2.8685;-8.3344,2.6562,3.7739;-8.7699,2.5602,2.2367;-7.2876,3.0249,2.6196;-8.7268,.0671,3.1562;-8.4101,-.8601,3.1624;-9.4288,.1678,2.4799;-9.0883,.294,4.0386;-1.4548,.2774,9.5572;-3.9071,1.5062,7.831;-4.818,1.1782,5.171;-.6011,-.7951,9.4873;-.9908,1.3707,8.8698;-5.1008,2.2586,3.2019;-6.6256,.7336,3.9363;