@MOLECULE methanol-pyridine 17 16 0 0 0 SMALL NO_CHARGES @ATOM 1 H1 0.0000 0.0000 0.0000 H 1 <1> 0.0000 2 O1 0.0000 0.0000 -0.9419 O.3 1 <1> 0.0000 3 C1 0.0000 1.3226 -1.3992 C.3 1 <1> 0.0000 4 H2 0.0000 1.3513 -2.4849 H 1 <1> 0.0000 5 H3 0.8805 1.8497 -1.0435 H 1 <1> 0.0000 6 H4 -0.8805 1.8497 -1.0435 H 1 <1> 0.0000 7 N1 0.8209 0.0000 2.2554 N.ar 1 <1> 0.0000 8 C2 -0.0139 0.0000 3.3101 C.ar 1 <1> 0.0000 9 C3 0.4140 0.0000 4.6379 C.ar 1 <1> 0.0000 10 C4 1.7843 0.0000 4.8998 C.ar 1 <1> 0.0000 11 C5 2.6656 0.0000 3.8184 C.ar 1 <1> 0.0000 12 C6 2.1398 0.0000 2.5262 C.ar 1 <1> 0.0000 13 H5 -1.0727 0.0000 3.0823 H 1 <1> 0.0000 14 H6 -0.2940 0.0000 5.4575 H 1 <1> 0.0000 15 H7 2.1692 0.0000 5.9121 H 1 <1> 0.0000 16 H8 3.7385 0.0000 3.9665 H 1 <1> 0.0000 17 H9 2.8045 0.0000 1.6711 H 1 <1> 0.0000 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 7 8 ar 7 7 12 ar 8 8 9 ar 9 8 13 1 10 9 10 ar 11 9 14 1 12 10 11 ar 13 10 15 1 14 11 12 ar 15 11 16 1 16 12 17 1 @MOLECULE methanol-acetonitrile 12 10 0 0 0 SMALL NO_CHARGES @ATOM 1 H1 0.0000 0.0000 0.0000 H 1 <1> 0.0000 2 O1 0.0000 0.0000 -0.9419 O.3 1 <1> 0.0000 3 C1 0.0000 1.3226 -1.3992 C.3 1 <1> 0.0000 4 H2 0.0000 1.3513 -2.4849 H 1 <1> 0.0000 5 H3 0.8805 1.8497 -1.0435 H 1 <1> 0.0000 6 H4 -0.8805 1.8497 -1.0435 H 1 <1> 0.0000 7 N1 0.2952 0.0000 1.6742 N.1 1 <1> 0.0000 8 C2 0.4923 0.0000 2.7918 C.1 1 <1> 0.0000 9 C3 0.7470 0.0000 4.2365 C.3 1 <1> 0.0000 10 H5 0.8106 -1.0185 4.5971 H 1 <1> 0.0000 11 H6 1.6792 0.5092 4.4439 H 1 <1> 0.0000 12 H7 -0.0580 0.5092 4.7503 H 1 <1> 0.0000 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 7 8 3 7 8 9 1 8 9 10 1 9 9 11 1 10 9 12 1 @MOLECULE methanol-furan 15 14 0 0 0 SMALL NO_CHARGES @ATOM 1 H1 0.0000 0.0000 0.0000 H 1 <1> 0.0000 2 O1 0.0000 0.0000 -0.9419 O.3 1 <1> 0.0000 3 C1 0.0000 1.3226 -1.3992 C.3 1 <1> 0.0000 4 H2 0.0000 1.3513 -2.4849 H 1 <1> 0.0000 5 H3 0.8805 1.8497 -1.0435 H 1 <1> 0.0000 6 H4 -0.8805 1.8497 -1.0435 H 1 <1> 0.0000 7 O2 0.0000 0.0000 2.1001 O.3 1 <1> 0.0000 8 C2 1.0953 0.0000 2.9165 C.2 1 <1> 0.0000 9 C3 0.7137 0.0000 4.2282 C.2 1 <1> 0.0000 10 C4 -0.7134 0.0000 4.2279 C.2 1 <1> 0.0000 11 C5 -1.0945 0.0000 2.9161 C.2 1 <1> 0.0000 12 H5 2.0480 0.0000 2.4184 H 1 <1> 0.0000 13 H6 1.3692 0.0000 5.0803 H 1 <1> 0.0000 14 H7 -1.3692 0.0000 5.0798 H 1 <1> 0.0000 15 H8 -1.9991 0.0000 2.3352 H 1 <1> 0.0000 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 7 8 1 7 7 11 1 8 8 9 2 9 8 12 1 10 9 10 1 11 9 13 1 12 10 11 2 13 10 14 1 14 11 15 1 @MOLECULE acetylene-pyridine 15 14 0 0 0 SMALL NO_CHARGES @ATOM 1 H1 0.0000 0.0000 0.0000 H 1 <1> 0.0000 2 C1 0.0000 0.0000 -1.0630 C.1 1 <1> 0.0000 3 C2 0.0000 0.0000 -2.2821 C.1 1 <1> 0.0000 4 H2 0.0000 0.0000 -3.3451 H 1 <1> 0.0000 5 N1 0.0000 0.0000 2.1001 N.ar 1 <1> 0.0000 6 C3 -1.1451 0.0000 2.8057 C.ar 1 <1> 0.0000 7 C4 -1.1972 0.0000 4.1998 C.ar 1 <1> 0.0000 8 C5 0.0008 0.0000 4.9145 C.ar 1 <1> 0.0000 9 C6 1.1989 0.0000 4.1998 C.ar 1 <1> 0.0000 10 C7 1.1468 0.0000 2.8057 C.ar 1 <1> 0.0000 11 H3 -2.0622 0.0000 2.2295 H 1 <1> 0.0000 12 H4 -2.1428 0.0000 4.7278 H 1 <1> 0.0000 13 H5 0.0163 0.0000 5.9975 H 1 <1> 0.0000 14 H6 2.1564 0.0000 4.7059 H 1 <1> 0.0000 15 H7 2.0639 0.0000 2.2295 H 1 <1> 0.0000 @BOND 1 1 2 1 2 2 3 3 3 3 4 1 4 5 6 ar 5 5 10 ar 6 6 7 ar 7 6 11 1 8 7 8 ar 9 7 12 1 10 8 9 ar 11 8 13 1 12 9 10 ar 13 9 14 1 14 10 15 1 @MOLECULE acetylene-acetonitrile 10 8 0 0 0 SMALL NO_CHARGES @ATOM 1 H1 0.0000 0.0000 0.0000 H 1 <1> 0.0000 2 C1 0.0000 0.0000 -1.0630 C.1 1 <1> 0.0000 3 C2 0.0000 0.0000 -2.2821 C.1 1 <1> 0.0000 4 H2 0.0000 0.0000 -3.3451 H 1 <1> 0.0000 5 N1 0.0000 0.3473 1.9697 N.1 1 <1> 0.0000 6 C3 0.0000 0.5444 3.0873 C.1 1 <1> 0.0000 7 C4 0.0000 0.7991 4.5320 C.3 1 <1> 0.0000 8 H3 1.0185 0.8627 4.8926 H 1 <1> 0.0000 9 H4 -0.5092 1.7313 4.7394 H 1 <1> 0.0000 10 H5 -0.5092 -0.0059 5.0457 H 1 <1> 0.0000 @BOND 1 1 2 1 2 2 3 3 3 3 4 1 4 5 6 3 5 6 7 1 6 7 8 1 7 7 9 1 8 7 10 1 @MOLECULE acetylene-furan 13 12 0 0 0 SMALL NO_CHARGES @ATOM 1 H1 0.0000 0.0000 0.0000 H 1 <1> 0.0000 2 C1 0.0000 0.0000 -1.0630 C.1 1 <1> 0.0000 3 C2 0.0000 0.0000 -2.2821 C.1 1 <1> 0.0000 4 H2 0.0000 0.0000 -3.3451 H 1 <1> 0.0000 5 O1 0.0000 -0.3647 2.0682 O.3 1 <1> 0.0000 6 C3 1.0953 -0.5064 2.8722 C.2 1 <1> 0.0000 7 C4 0.7137 -0.7342 4.1639 C.2 1 <1> 0.0000 8 C5 -0.7134 -0.7342 4.1637 C.2 1 <1> 0.0000 9 C6 -1.0945 -0.5064 2.8718 C.2 1 <1> 0.0000 10 H3 2.0480 -0.4200 2.3817 H 1 <1> 0.0000 11 H4 1.3692 -0.8822 5.0031 H 1 <1> 0.0000 12 H5 -1.3692 -0.8821 5.0026 H 1 <1> 0.0000 13 H6 -2.0473 -0.4199 2.3814 H 1 <1> 0.0000 @BOND 1 1 2 1 2 2 3 3 3 3 4 1 4 5 6 1 5 5 9 1 6 6 7 2 7 6 10 1 8 7 8 1 9 7 11 1 10 8 9 2 11 8 12 1 12 9 13 1 @MOLECULE benzene-pyridine 23 23 0 0 0 SMALL NO_CHARGES @ATOM 1 H1 0.0000 0.0000 0.0000 H 1 <1> 0.0000 2 C1 0.0000 0.0000 -1.0760 C.ar 1 <1> 0.0000 3 C2 0.0000 1.2003 -1.7690 C.ar 1 <1> 0.0000 4 C3 0.0000 1.2003 -3.1549 C.ar 1 <1> 0.0000 5 C4 0.0000 0.0000 -3.8479 C.ar 1 <1> 0.0000 6 C5 0.0000 -1.2003 -3.1549 C.ar 1 <1> 0.0000 7 C6 0.0000 -1.2003 -1.7690 C.ar 1 <1> 0.0000 8 H2 0.0000 2.1321 -1.2310 H 1 <1> 0.0000 9 H3 0.0000 2.1321 -3.6929 H 1 <1> 0.0000 10 H4 0.0000 0.0000 -4.9239 H 1 <1> 0.0000 11 H5 0.0000 -2.1321 -3.6929 H 1 <1> 0.0000 12 H6 0.0000 -2.1321 -1.2310 H 1 <1> 0.0000 13 N1 1.0000 0.0000 1.7321 N.ar 1 <1> 0.0000 14 C7 0.3611 0.0000 2.9157 C.ar 1 <1> 0.0000 15 C8 1.0131 0.0000 4.1491 C.ar 1 <1> 0.0000 16 C9 2.4080 0.0000 4.1691 C.ar 1 <1> 0.0000 17 C10 3.0881 0.0000 2.9511 C.ar 1 <1> 0.0000 18 C11 2.3460 0.0000 1.7698 C.ar 1 <1> 0.0000 19 H7 -0.7212 0.0000 2.8753 H 1 <1> 0.0000 20 H8 0.4582 0.0000 5.0792 H 1 <1> 0.0000 21 H9 2.9629 0.0000 5.0992 H 1 <1> 0.0000 22 H10 4.1704 0.0000 2.9106 H 1 <1> 0.0000 23 H11 2.8521 0.0000 0.8123 H 1 <1> 0.0000 @BOND 1 1 2 1 2 2 3 ar 3 2 7 ar 4 3 4 ar 5 3 8 1 6 4 5 ar 7 4 9 1 8 5 6 ar 9 5 10 1 10 6 7 ar 11 6 11 1 12 7 12 1 13 13 14 ar 14 13 18 ar 15 14 15 ar 16 14 19 1 17 15 16 ar 18 15 20 1 19 16 17 ar 20 16 21 1 21 17 18 ar 22 17 22 1 23 18 23 1 @MOLECULE benzene-acetonitrile 18 17 0 0 0 SMALL NO_CHARGES @ATOM 1 H1 0.0000 0.0000 0.0000 H 1 <1> 0.0000 2 C1 0.0000 0.0000 -1.0760 C.ar 1 <1> 0.0000 3 C2 0.0000 1.2003 -1.7690 C.ar 1 <1> 0.0000 4 C3 0.0000 1.2003 -3.1549 C.ar 1 <1> 0.0000 5 C4 0.0000 0.0000 -3.8479 C.ar 1 <1> 0.0000 6 C5 0.0000 -1.2003 -3.1549 C.ar 1 <1> 0.0000 7 C6 0.0000 -1.2003 -1.7690 C.ar 1 <1> 0.0000 8 H2 0.0000 2.1321 -1.2310 H 1 <1> 0.0000 9 H3 0.0000 2.1321 -3.6929 H 1 <1> 0.0000 10 H4 0.0000 0.0000 -4.9239 H 1 <1> 0.0000 11 H5 0.0000 -2.1321 -3.6929 H 1 <1> 0.0000 12 H6 0.0000 -2.1321 -1.2310 H 1 <1> 0.0000 13 N1 0.8551 0.0000 2.3493 N.1 1 <1> 0.0000 14 C7 1.2432 0.0000 3.4157 C.1 1 <1> 0.0000 15 C8 1.7450 0.0000 4.7942 C.3 1 <1> 0.0000 16 H7 2.8272 0.0000 4.7899 H 1 <1> 0.0000 17 H8 1.3917 0.8820 5.3125 H 1 <1> 0.0000 18 H9 1.3917 -0.8820 5.3125 H 1 <1> 0.0000 @BOND 1 1 2 1 2 2 3 ar 3 2 7 ar 4 3 4 ar 5 3 8 1 6 4 5 ar 7 4 9 1 8 5 6 ar 9 5 10 1 10 6 7 ar 11 6 11 1 12 7 12 1 13 13 14 3 14 14 15 1 15 15 16 1 16 15 17 1 17 15 18 1 @MOLECULE benzene-furan 21 21 0 0 0 SMALL NO_CHARGES @ATOM 1 H1 0.0000 0.0000 0.0000 H 1 <1> 0.0000 2 C1 0.0000 0.0000 -1.0760 C.ar 1 <1> 0.0000 3 C2 0.0000 1.2003 -1.7690 C.ar 1 <1> 0.0000 4 C3 0.0000 1.2003 -3.1549 C.ar 1 <1> 0.0000 5 C4 0.0000 0.0000 -3.8479 C.ar 1 <1> 0.0000 6 C5 0.0000 -1.2003 -3.1549 C.ar 1 <1> 0.0000 7 C6 0.0000 -1.2003 -1.7690 C.ar 1 <1> 0.0000 8 H2 0.0000 2.1321 -1.2310 H 1 <1> 0.0000 9 H3 0.0000 2.1321 -3.6929 H 1 <1> 0.0000 10 H4 0.0000 0.0000 -4.9239 H 1 <1> 0.0000 11 H5 0.0000 -2.1321 -3.6929 H 1 <1> 0.0000 12 H6 0.0000 -2.1321 -1.2310 H 1 <1> 0.0000 13 O1 0.8209 0.0000 2.2554 O.3 1 <1> 0.0000 14 C7 2.1293 0.0000 2.6479 C.2 1 <1> 0.0000 15 C8 2.2194 0.0000 4.0110 C.2 1 <1> 0.0000 16 C9 0.8783 0.0000 4.4988 C.2 1 <1> 0.0000 17 C10 0.0715 0.0000 3.3965 C.2 1 <1> 0.0000 18 H7 2.8542 0.0000 1.8540 H 1 <1> 0.0000 19 H8 3.1268 0.0000 4.5875 H 1 <1> 0.0000 20 H9 0.5534 0.0000 5.5236 H 1 <1> 0.0000 21 H10 -0.9941 0.0000 3.2544 H 1 <1> 0.0000 @BOND 1 1 2 1 2 2 3 ar 3 2 7 ar 4 3 4 ar 5 3 8 1 6 4 5 ar 7 4 9 1 8 5 6 ar 9 5 10 1 10 6 7 ar 11 6 11 1 12 7 12 1 13 13 14 1 14 13 17 1 15 14 15 2 16 14 18 1 17 15 16 1 18 15 19 1 19 16 17 2 20 16 20 1 21 17 21 1