Mrv1652309072215462D 33 40 0 0 1 0 999 V2000 0.7411 -2.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 -1.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 -2.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6605 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 -2.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 -1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4977 -0.8814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 17 22 2 0 0 0 0 22 23 1 0 0 0 0 10 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 21 30 1 0 0 0 0 12 31 1 0 0 0 0 31 32 1 0 0 0 0 33 32 1 1 0 0 0 2 33 1 0 0 0 0 10 33 1 0 0 0 0 M END > NP0250807 > NP-MRD > O=C1[C@H]2CNC3=C4C(=NCC3)C3=C5C(=CC=N3)C3=CC=CC=C3N=C5[C@]24NC2=CC=CC=C12 > InChI=1S/C27H19N5O/c33-25-16-6-2-4-8-19(16)32-27-17(25)13-30-20-10-12-29-24(22(20)27)23-21-15(9-11-28-23)14-5-1-3-7-18(14)31-26(21)27/h1-9,11,17,30,32H,10,12-13H2/t17-,27+/m1/s1 > IZXRVAHKTVOIEV-CRYYWNKWSA-N > C27H19N5O > 429.483 > 429.158960252 > 6 > 52 > 45.98450775577726 > 1 > 2 > 0 > 1 > (1S,10S)-2,12,16,19,29-pentaazaoctacyclo[15.13.1.1^{18,22}.0^{1,10}.0^{3,8}.0^{13,31}.0^{23,28}.0^{30,32}]dotriaconta-3,5,7,13(31),16,18(32),19,21,23,25,27,29-dodecaen-9-one > 2.774561684 > 0 > 8 > 1 > 13.859028354285385 > 12.116660322788139 > 7.4723233454466165 > 79.27000000000001 > 126.7773 > 0 > 1 > (1S,10S)-2,12,16,19,29-pentaazaoctacyclo[15.13.1.1^{18,22}.0^{1,10}.0^{3,8}.0^{13,31}.0^{23,28}.0^{30,32}]dotriaconta-3,5,7,13(31),16,18(32),19,21,23,25,27,29-dodecaen-9-one > 0 > NP0250807 > (1s,10s)-2,12,16,19,29-pentaazaoctacyclo[15.13.1.1¹⁸,²².0¹,¹⁰.0³,⁸.0¹³,³¹.0²³,²⁸.0³⁰,³²]dotriaconta-3,5,7,13(31),16,18,20,22(32),23(28),24,26,29-dodecaen-9-one $$$$