@MOLECULE 3-pyrazolo[1,5-a]pyridin-3-ylalanine 26 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.7612 0.9240 -1.7978 O.3 1 UNL1 -0.5514 2 OXT 2.0282 1.8791 0.1993 O.2 1 UNL1 -0.5219 3 N -2.0425 -0.7390 -0.2115 N.ar 1 UNL1 -0.0246 4 N -1.7656 -2.0218 -0.5606 N.ar 1 UNL1 -0.2892 5 N 3.7828 -0.5848 0.4906 N.3 1 UNL1 -0.6316 6 C 1.4184 -0.9748 1.0428 C.3 1 UNL1 -0.2476 7 C 0.0653 -1.1077 0.4828 C.ar 1 UNL1 -0.2132 8 CA 2.4217 -0.5338 -0.0503 C.3 1 UNL1 0.0141 9 C -0.9451 -0.1257 0.4390 C.ar 1 UNL1 0.0667 10 C -0.4918 -2.2552 -0.1450 C.ar 1 UNL1 -0.0135 11 C -1.0843 1.2196 0.8567 C.ar 1 UNL1 -0.1687 12 C -3.2299 -0.0825 -0.4532 C.ar 1 UNL1 0.0170 13 C 2.0518 0.8852 -0.4778 C.2 1 UNL1 0.5832 14 C -2.2621 1.8755 0.6197 C.ar 1 UNL1 -0.1190 15 C -3.3413 1.2210 -0.0394 C.ar 1 UNL1 -0.2143 16 H 1.7713 -1.9399 1.4755 H 1 UNL1 0.1798 17 H 1.4346 -0.2561 1.8914 H 1 UNL1 0.1648 18 HA 2.3554 -1.2311 -0.9306 H 1 UNL1 0.1833 19 H -0.0242 -3.2123 -0.3045 H 1 UNL1 0.1855 20 H -0.2359 1.7007 1.3491 H 1 UNL1 0.1892 21 H -4.0171 -0.6441 -0.9651 H 1 UNL1 0.1911 22 H1 3.9147 0.0346 1.2758 H 1 UNL1 0.2652 23 H2 4.4864 -0.4063 -0.2066 H 1 UNL1 0.2603 24 H -2.3943 2.9127 0.9297 H 1 UNL1 0.1661 25 H -4.2640 1.7722 -0.2144 H 1 UNL1 0.1741 26 H 1.4922 1.8168 -2.1285 H 1 UNL1 0.3545 @BOND 1 26 1 1 2 1 13 1 3 21 12 1 4 18 8 1 5 4 3 ar 6 4 10 ar 7 13 8 1 8 13 2 2 9 12 3 ar 10 12 15 ar 11 19 10 1 12 25 15 1 13 3 9 ar 14 23 5 1 15 10 7 ar 16 8 5 1 17 8 6 1 18 15 14 ar 19 9 7 ar 20 9 11 ar 21 7 6 1 22 5 22 1 23 14 11 ar 24 14 24 1 25 11 20 1 26 6 16 1 27 6 17 1