@MOLECULE 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine 38 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.4116 1.6636 1.9807 C.ar 1 UNL1 -0.1684 2 C 0.6740 0.5897 1.5681 C.ar 1 UNL1 -0.0161 3 N 1.1907 -0.2175 0.5713 N.ar 1 UNL1 -0.2096 4 C 2.4533 0.0439 -0.0300 C.ar 1 UNL1 0.1250 5 C 3.2168 1.1698 0.4087 C.ar 1 UNL1 0.0472 6 C 2.6819 1.9513 1.4016 C.ar 1 UNL1 -0.1746 7 C 0.6857 -1.3567 -0.0703 C.ar 1 UNL1 0.0858 8 N 1.6069 -1.7424 -0.9914 N.ar 1 UNL1 -0.1660 9 N 2.6517 -0.9243 -0.9731 N.ar 1 UNL1 -0.2247 10 C -0.6139 -1.9747 0.2054 C.3 1 UNL1 -0.0325 11 C -1.7436 -1.0275 0.0315 C.ar 1 UNL1 -0.0162 12 C -0.8060 -3.4307 -0.2103 C.3 1 UNL1 -0.2625 13 C -0.6674 -3.0907 1.2447 C.3 1 UNL1 -0.3027 14 C -1.9635 -0.4754 -1.2356 C.ar 1 UNL1 -0.1251 15 C -2.9894 0.4447 -1.4302 C.ar 1 UNL1 -0.1602 16 C -3.7800 0.7883 -0.3404 C.ar 1 UNL1 0.0303 17 C -3.5908 0.2507 0.9250 C.ar 1 UNL1 -0.1663 18 C -2.5579 -0.6675 1.1066 C.ar 1 UNL1 -0.1493 19 CL -5.0409 1.9239 -0.5671 Cl 1 UNL1 -0.0904 20 C 4.5248 1.4892 -0.1826 C.3 1 UNL1 -0.1918 21 C 4.7903 1.2706 -1.6661 C.3 1 UNL1 -0.2838 22 C 5.4685 0.3917 -0.6545 C.3 1 UNL1 -0.2846 23 H 1.0329 2.3223 2.7632 H 1 UNL1 0.1778 24 H -0.3073 0.3230 1.9674 H 1 UNL1 0.1864 25 H 3.2232 2.8232 1.7719 H 1 UNL1 0.1709 26 H -1.7676 -3.7405 -0.6126 H 1 UNL1 0.1652 27 H 0.0066 -3.9384 -0.7343 H 1 UNL1 0.1835 28 H 0.2436 -3.3587 1.7774 H 1 UNL1 0.1689 29 H -1.5265 -3.1723 1.9050 H 1 UNL1 0.1633 30 H -1.3213 -0.7670 -2.0705 H 1 UNL1 0.1774 31 H -3.1601 0.8812 -2.4146 H 1 UNL1 0.1773 32 H -4.2286 0.5340 1.7613 H 1 UNL1 0.1706 33 H -2.3928 -1.1040 2.0912 H 1 UNL1 0.1609 34 H 4.9922 2.3752 0.2750 H 1 UNL1 0.1659 35 H 4.0051 0.8471 -2.2950 H 1 UNL1 0.1797 36 H 5.3553 2.0155 -2.2173 H 1 UNL1 0.1541 37 H 6.5319 0.4910 -0.4621 H 1 UNL1 0.1540 38 H 5.1636 -0.6532 -0.5701 H 1 UNL1 0.1806 @BOND 1 31 15 1 2 35 21 1 3 36 21 1 4 30 14 1 5 21 22 1 6 21 20 1 7 15 14 ar 8 15 16 ar 9 14 11 ar 10 8 9 ar 11 8 7 ar 12 9 4 ar 13 27 12 1 14 22 38 1 15 22 37 1 16 22 20 1 17 26 12 1 18 19 16 1 19 16 17 ar 20 12 10 1 21 12 13 1 22 20 34 1 23 20 5 1 24 7 10 1 25 7 3 ar 26 4 5 ar 27 4 3 ar 28 11 10 1 29 11 18 ar 30 10 13 1 31 5 6 ar 32 3 2 ar 33 17 18 ar 34 17 32 1 35 18 33 1 36 13 28 1 37 13 29 1 38 6 25 1 39 6 1 ar 40 2 24 1 41 2 1 ar 42 1 23 1