@MOLECULE ({4-[(e)-2-(5-nitro-2-furyl)vinyl]-2-pyrimidinyl}imino)dimethanol 33 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.1967 -0.1875 0.0070 O.2 1 UNL1 0.0679 2 O 2.9389 2.6252 -0.6224 O.3 1 UNL1 -0.3966 3 O 5.9907 -0.2505 1.0101 O.3 1 UNL1 -0.3466 4 O -6.6671 -0.0911 0.2340 O.2 1 UNL1 -0.1510 5 O -5.2812 -1.7473 0.1776 O.2 1 UNL1 -0.0733 6 N 4.0770 0.6753 0.0178 N.pl3 1 UNL1 -0.2621 7 N 1.8373 -0.0362 -0.0949 N.ar 1 UNL1 -0.7226 8 N 3.6562 -1.6398 -0.1795 N.ar 1 UNL1 -0.6352 9 N -5.5392 -0.5561 0.1655 N.pl3 1 UNL1 -0.0900 10 C 3.1738 -0.3526 -0.0841 C.ar 1 UNL1 0.7150 11 C 3.6165 2.0096 0.4345 C.3 1 UNL1 -0.3256 12 C 5.5147 0.4012 -0.1309 C.3 1 UNL1 -0.3859 13 C 0.9524 -1.0517 -0.1870 C.ar 1 UNL1 0.6505 14 C -2.3256 0.8848 -0.0803 C.ar 1 UNL1 -0.1565 15 C -0.4758 -0.7158 -0.1595 C.2 1 UNL1 -0.4690 16 C 1.3760 -2.3853 -0.3036 C.ar 1 UNL1 -0.7459 17 C -0.9297 0.5483 -0.1306 C.2 1 UNL1 0.0804 18 C 2.7559 -2.6255 -0.3017 C.ar 1 UNL1 0.3196 19 C -3.0199 2.0790 -0.0829 C.ar 1 UNL1 -0.2833 20 C -4.4621 0.3749 0.0650 C.ar 1 UNL1 0.3611 21 C -4.4069 1.7498 0.0122 C.ar 1 UNL1 -0.4248 22 H 2.9416 1.9318 1.3172 H 1 UNL1 0.2373 23 H 4.4833 2.6789 0.6280 H 1 UNL1 0.3013 24 H 6.0886 1.3536 -0.1621 H 1 UNL1 0.3111 25 H 5.6935 -0.2261 -1.0340 H 1 UNL1 0.2227 26 H -1.1546 -1.5772 -0.1579 H 1 UNL1 0.3332 27 H -0.2411 1.4063 -0.1343 H 1 UNL1 0.1806 28 H 0.6661 -3.1992 -0.3893 H 1 UNL1 0.2881 29 H -2.6142 3.0697 -0.1430 H 1 UNL1 0.2478 30 H 3.1706 -3.6409 -0.3867 H 1 UNL1 0.2011 31 H -5.2309 2.4414 0.0378 H 1 UNL1 0.2996 32 H 2.1529 2.0893 -0.8839 H 1 UNL1 0.3144 33 H 5.5979 -1.1539 1.0806 H 1 UNL1 0.3368 @BOND 1 25 12 1 2 32 2 1 3 2 11 1 4 28 16 1 5 30 18 1 6 16 18 ar 7 16 13 ar 8 18 8 ar 9 13 15 1 10 13 7 ar 11 8 10 ar 12 24 12 1 13 15 26 1 14 15 17 2 15 29 19 1 16 27 17 1 17 12 6 1 18 12 3 1 19 17 14 1 20 7 10 ar 21 10 6 1 22 19 14 ar 23 19 21 ar 24 14 1 ar 25 1 20 ar 26 21 31 1 27 21 20 ar 28 6 11 1 29 20 9 1 30 9 5 2 31 9 4 2 32 11 23 1 33 11 22 1 34 3 33 1