@MOLECULE arborine 33 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.3661 -2.7805 0.1845 O.2 1 UNL1 -0.4290 2 N -0.4060 0.6195 -0.7525 N.ar 1 UNL1 -0.4048 3 N -0.4946 -1.7482 -0.5898 N.ar 1 UNL1 -0.5770 4 C 0.1485 -0.6572 -0.8937 C.ar 1 UNL1 0.4437 5 C -1.6937 0.7515 -0.2088 C.ar 1 UNL1 0.2433 6 C 1.5515 -0.8143 -1.4352 C.3 1 UNL1 -0.3104 7 C -2.4134 -0.4096 0.1322 C.ar 1 UNL1 -0.2764 8 C 2.5766 -0.3567 -0.4428 C.ar 1 UNL1 0.0044 9 C 0.3263 1.8434 -1.0868 C.3 1 UNL1 -0.2400 10 C -2.2879 2.0135 -0.0027 C.ar 1 UNL1 -0.2774 11 C -1.8073 -1.7411 -0.0700 C.ar 1 UNL1 0.5871 12 C -3.7025 -0.3091 0.6633 C.ar 1 UNL1 -0.0171 13 C -3.5665 2.0900 0.5263 C.ar 1 UNL1 -0.0481 14 C 2.5070 -0.7986 0.8801 C.ar 1 UNL1 -0.1573 15 C 3.6091 0.4944 -0.8409 C.ar 1 UNL1 -0.1854 16 C -4.2816 0.9341 0.8614 C.ar 1 UNL1 -0.2289 17 C 3.4516 -0.3684 1.8077 C.ar 1 UNL1 -0.1299 18 C 4.5550 0.9191 0.0907 C.ar 1 UNL1 -0.1378 19 C 4.4745 0.4938 1.4149 C.ar 1 UNL1 -0.1565 20 H 1.6485 -0.3115 -2.4191 H 1 UNL1 0.1696 21 H 1.7246 -1.9035 -1.6587 H 1 UNL1 0.2129 22 H 0.4669 2.4757 -0.1877 H 1 UNL1 0.1592 23 H -0.2270 2.4218 -1.8502 H 1 UNL1 0.1572 24 H 1.3292 1.6356 -1.4894 H 1 UNL1 0.1667 25 H -1.7612 2.9292 -0.2514 H 1 UNL1 0.1634 26 H -4.2402 -1.2296 0.9173 H 1 UNL1 0.1785 27 H -4.0242 3.0678 0.6842 H 1 UNL1 0.1504 28 H 1.7136 -1.4854 1.1845 H 1 UNL1 0.1761 29 H 3.6871 0.8223 -1.8744 H 1 UNL1 0.1483 30 H -5.2838 1.0167 1.2752 H 1 UNL1 0.1630 31 H 3.3920 -0.7091 2.8406 H 1 UNL1 0.1552 32 H 5.3599 1.5828 -0.2188 H 1 UNL1 0.1471 33 H 5.2109 0.8310 2.1410 H 1 UNL1 0.1501 @BOND 1 20 6 1 2 29 15 1 3 23 9 1 4 21 6 1 5 24 9 1 6 6 4 1 7 6 8 1 8 9 2 1 9 9 22 1 10 4 2 ar 11 4 3 ar 12 15 8 ar 13 15 18 ar 14 2 5 ar 15 3 11 ar 16 8 14 ar 17 25 10 1 18 32 18 1 19 5 10 ar 20 5 7 ar 21 11 7 ar 22 11 1 2 23 10 13 ar 24 18 19 ar 25 7 12 ar 26 13 27 1 27 13 16 ar 28 12 16 ar 29 12 26 1 30 16 30 1 31 14 28 1 32 14 17 ar 33 19 17 ar 34 19 33 1 35 17 31 1