@MOLECULE 4-(1-pyrenyl)-1-butanamine 40 43 0 0 0 SMALL GASTEIGER @ATOM 1 N -7.0192 -1.0643 -0.7725 N.3 1 UNL1111111111 -0.9920 2 C 1.1228 0.5574 0.1300 C.ar 1 UNL1111111111 -0.0360 3 C -0.1498 0.0532 0.4947 C.ar 1 UNL1111111111 0.0510 4 C -1.2173 0.9486 0.6627 C.ar 1 UNL1111111111 -0.0150 5 C 2.2375 -0.3331 -0.0212 C.ar 1 UNL1111111111 -0.1836 6 C -2.5834 0.4858 1.0704 C.3 1 UNL1111111111 -0.4727 7 C 1.3067 1.9428 -0.0827 C.ar 1 UNL1111111111 0.1951 8 C -3.3949 0.1064 -0.1784 C.3 1 UNL1111111111 -0.1771 9 C 2.0669 -1.7219 0.1795 C.ar 1 UNL1111111111 0.3393 10 C 3.5117 0.1749 -0.3669 C.ar 1 UNL1111111111 0.2816 11 C -0.2919 -1.3717 0.6759 C.ar 1 UNL1111111111 -0.1491 12 C -1.0240 2.3139 0.4377 C.ar 1 UNL1111111111 -0.1723 13 C 0.2191 2.8089 0.0660 C.ar 1 UNL1111111111 -0.3797 14 C -4.8086 -0.3345 0.2079 C.3 1 UNL1111111111 -0.4969 15 C 0.7572 -2.2148 0.5257 C.ar 1 UNL1111111111 -0.4174 16 C 2.6129 2.4345 -0.4452 C.ar 1 UNL1111111111 -0.2659 17 C 3.6656 1.5933 -0.5773 C.ar 1 UNL1111111111 -0.3353 18 C 3.1628 -2.5792 0.0391 C.ar 1 UNL1111111111 -0.4372 19 C 4.5917 -0.7039 -0.4985 C.ar 1 UNL1111111111 -0.4168 20 C -5.6354 -0.6435 -1.0566 C.3 1 UNL1111111111 -0.0257 21 C 4.4142 -2.0694 -0.2953 C.ar 1 UNL1111111111 -0.0502 22 H -2.5274 -0.3702 1.7721 H 1 UNL1111111111 0.1961 23 H -3.1117 1.2788 1.6386 H 1 UNL1111111111 0.2079 24 H -2.8767 -0.6987 -0.7351 H 1 UNL1111111111 0.1416 25 H -3.4366 0.9693 -0.8716 H 1 UNL1111111111 0.1521 26 H -1.2791 -1.7553 0.9355 H 1 UNL1111111111 0.2134 27 H -1.8611 3.0011 0.5555 H 1 UNL1111111111 0.2075 28 H 0.3500 3.8763 -0.1057 H 1 UNL1111111111 0.2383 29 H -4.7662 -1.2249 0.8607 H 1 UNL1111111111 0.1959 30 H -5.3063 0.4548 0.8000 H 1 UNL1111111111 0.1926 31 H 0.6434 -3.2897 0.6619 H 1 UNL1111111111 0.2340 32 H 2.7206 3.5065 -0.6060 H 1 UNL1111111111 0.2164 33 H 4.6552 1.9598 -0.8463 H 1 UNL1111111111 0.2266 34 H 3.0353 -3.6488 0.1936 H 1 UNL1111111111 0.2436 35 H 5.5744 -0.3168 -0.7610 H 1 UNL1111111111 0.2362 36 H -5.1467 -1.4471 -1.6507 H 1 UNL1111111111 0.1544 37 H -5.6781 0.2505 -1.7174 H 1 UNL1111111111 0.1526 38 H 5.2623 -2.7449 -0.3984 H 1 UNL1111111111 0.1737 39 H -7.5404 -0.3505 -0.2919 H 1 UNL1111111111 0.3868 40 H -7.0537 -1.9106 -0.2296 H 1 UNL1111111111 0.3861 @BOND 1 1 20 1 2 1 39 1 3 1 40 1 4 2 3 ar 5 2 5 ar 6 2 7 ar 7 3 4 ar 8 3 11 ar 9 4 6 1 10 4 12 ar 11 5 9 ar 12 5 10 ar 13 6 8 1 14 6 22 1 15 6 23 1 16 7 13 ar 17 7 16 ar 18 8 14 1 19 8 24 1 20 8 25 1 21 9 15 ar 22 9 18 ar 23 10 17 ar 24 10 19 ar 25 11 15 ar 26 11 26 1 27 12 13 ar 28 12 27 1 29 13 28 1 30 14 20 1 31 14 29 1 32 14 30 1 33 15 31 1 34 16 17 ar 35 16 32 1 36 17 33 1 37 18 21 ar 38 18 34 1 39 19 21 ar 40 19 35 1 41 20 36 1 42 20 37 1 43 21 38 1