@MOLECULE 1-pyrenecarbaldehyde 28 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7639 -0.6853 -0.0035 O.2 1 UNL1111 -0.4377 2 C -0.0964 0.3358 -0.0019 C.ar 1 UNL1111 -0.0525 3 C 1.2715 -0.0950 -0.0013 C.ar 1 UNL1111 0.0026 4 C -1.1453 -0.6172 -0.0015 C.ar 1 UNL1111 0.0534 5 C -0.3909 1.7201 -0.0022 C.ar 1 UNL1111 0.0444 6 C 1.5813 -1.4741 -0.0024 C.ar 1 UNL1111 -0.0296 7 C 2.3180 0.8568 0.0013 C.ar 1 UNL1111 -0.0260 8 C -2.4725 -0.1621 0.0039 C.ar 1 UNL1111 -0.1927 9 C -0.7939 -2.0168 -0.0086 C.ar 1 UNL1111 -0.1818 10 C 0.4983 -2.4240 -0.0084 C.ar 1 UNL1111 -0.1137 11 C 0.6944 2.6707 -0.0029 C.ar 1 UNL1111 -0.1674 12 C 1.9845 2.2600 -0.0009 C.ar 1 UNL1111 -0.1281 13 C -1.7242 2.1436 -0.0024 C.ar 1 UNL1111 -0.1936 14 C 2.9188 -1.8835 0.0014 C.ar 1 UNL1111 -0.1354 15 C 3.6467 0.4213 0.0058 C.ar 1 UNL1111 -0.1333 16 C -2.7496 1.2075 0.0007 C.ar 1 UNL1111 -0.0591 17 C 3.9414 -0.9396 0.0059 C.ar 1 UNL1111 -0.1522 18 C -3.6244 -1.0893 0.0161 C.2 1 UNL1111 0.3476 19 H -1.5994 -2.7509 -0.0156 H 1 UNL1111 0.1594 20 H 0.7563 -3.4837 -0.0136 H 1 UNL1111 0.1577 21 H 0.4367 3.7299 -0.0049 H 1 UNL1111 0.1625 22 H 2.8076 2.9749 -0.0009 H 1 UNL1111 0.1588 23 H -1.9561 3.2073 -0.0047 H 1 UNL1111 0.1625 24 H 3.1595 -2.9458 0.0008 H 1 UNL1111 0.1555 25 H 4.4550 1.1516 0.0093 H 1 UNL1111 0.1560 26 H -3.7949 1.5372 0.0000 H 1 UNL1111 0.1762 27 H 4.9802 -1.2675 0.0090 H 1 UNL1111 0.1548 28 H -3.4284 -2.1691 0.0464 H 1 UNL1111 0.1116 @BOND 1 1 18 2 2 2 3 ar 3 2 4 ar 4 2 5 ar 5 3 6 ar 6 3 7 ar 7 4 8 ar 8 4 9 ar 9 5 11 ar 10 5 13 ar 11 6 10 ar 12 6 14 ar 13 7 12 ar 14 7 15 ar 15 8 16 ar 16 8 18 1 17 9 10 ar 18 9 19 1 19 10 20 1 20 11 12 ar 21 11 21 1 22 12 22 1 23 13 16 ar 24 13 23 1 25 14 17 ar 26 14 24 1 27 15 17 ar 28 15 25 1 29 16 26 1 30 17 27 1 31 18 28 1