@MOLECULE eilatin 40 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -1.3787 1.6003 0.0004 N.ar 1 UNL1 -0.3034 2 N 1.3795 1.6003 -0.0011 N.ar 1 UNL1 -0.3034 3 N -1.3853 -3.2318 -0.0006 N.ar 1 UNL1 -0.3171 4 N 1.3834 -3.2322 0.0020 N.ar 1 UNL1 -0.3171 5 C -1.4292 -0.8192 -0.0000 C.ar 1 UNL1 -0.1856 6 C 1.4288 -0.8195 -0.0001 C.ar 1 UNL1 -0.1857 7 C -0.7425 0.4577 0.0001 C.ar 1 UNL1 0.1913 8 C 0.7431 0.4578 -0.0003 C.ar 1 UNL1 0.1914 9 C -0.7413 -2.0628 0.0000 C.ar 1 UNL1 0.1929 10 C 0.7400 -2.0627 0.0008 C.ar 1 UNL1 0.1929 11 C -2.8392 -0.8289 -0.0005 C.ar 1 UNL1 0.0881 12 C 2.8387 -0.8296 -0.0004 C.ar 1 UNL1 0.0882 13 C -3.5406 0.4329 -0.0001 C.ar 1 UNL1 -0.0895 14 C 3.5407 0.4321 -0.0008 C.ar 1 UNL1 -0.0896 15 C -2.7664 1.6156 0.0006 C.ar 1 UNL1 0.1459 16 C 2.7673 1.6153 -0.0011 C.ar 1 UNL1 0.1461 17 C -3.4988 -2.0728 -0.0013 C.ar 1 UNL1 -0.2467 18 C 3.4975 -2.0739 0.0002 C.ar 1 UNL1 -0.2467 19 C -4.9450 0.5454 -0.0002 C.ar 1 UNL1 -0.1322 20 C 4.9453 0.5443 -0.0003 C.ar 1 UNL1 -0.1322 21 C -2.7403 -3.2351 -0.0015 C.ar 1 UNL1 0.0731 22 C 2.7385 -3.2359 0.0017 C.ar 1 UNL1 0.0732 23 C -3.3940 2.8850 0.0011 C.ar 1 UNL1 -0.1275 24 C 3.3957 2.8844 -0.0008 C.ar 1 UNL1 -0.1275 25 C -5.5471 1.7874 0.0003 C.ar 1 UNL1 -0.1453 26 C 5.5482 1.7859 0.0004 C.ar 1 UNL1 -0.1453 27 C -4.7692 2.9615 0.0010 C.ar 1 UNL1 -0.1372 28 C 4.7710 2.9605 0.0002 C.ar 1 UNL1 -0.1371 29 H -4.5841 -2.1244 -0.0020 H 1 UNL1 0.1705 30 H 4.5827 -2.1261 -0.0005 H 1 UNL1 0.1705 31 H -5.5589 -0.3547 -0.0007 H 1 UNL1 0.1555 32 H 5.5588 -0.3561 -0.0003 H 1 UNL1 0.1555 33 H -3.1977 -4.2327 -0.0022 H 1 UNL1 0.1761 34 H 3.1958 -4.2337 0.0029 H 1 UNL1 0.1761 35 H -2.7643 3.7774 0.0016 H 1 UNL1 0.1812 36 H 2.7665 3.7772 -0.0011 H 1 UNL1 0.1812 37 H -6.6332 1.8702 0.0003 H 1 UNL1 0.1545 38 H 6.6342 1.8680 0.0011 H 1 UNL1 0.1545 39 H -5.2682 3.9300 0.0014 H 1 UNL1 0.1551 40 H 5.2705 3.9287 0.0009 H 1 UNL1 0.1551 @BOND 1 33 21 1 2 29 17 1 3 21 17 ar 4 21 3 ar 5 17 11 ar 6 16 2 ar 7 16 14 ar 8 16 24 ar 9 2 8 ar 10 36 24 1 11 14 12 ar 12 14 20 ar 13 24 28 ar 14 31 19 1 15 3 9 ar 16 30 18 1 17 11 13 ar 18 11 5 ar 19 12 6 ar 20 12 18 ar 21 20 32 1 22 20 26 ar 23 8 6 ar 24 8 7 ar 25 19 13 ar 26 19 25 ar 27 13 15 ar 28 6 10 ar 29 9 5 ar 30 9 10 ar 31 5 7 ar 32 7 1 ar 33 18 22 ar 34 28 26 ar 35 28 40 1 36 25 37 1 37 25 27 ar 38 1 15 ar 39 26 38 1 40 15 23 ar 41 10 4 ar 42 27 23 ar 43 27 39 1 44 23 35 1 45 22 4 ar 46 22 34 1