@MOLECULE 1-{2-methyl-5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]-1h-pyrrol-3-yl}ethanone 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1696 2.4508 -1.1781 O.3 1 UNL1111111111 -0.5389 2 O 3.4495 1.4094 -0.0032 O.3 1 UNL1111111111 -0.5738 3 O 3.2288 -0.4983 1.9741 O.3 1 UNL1111111111 -0.5430 4 O 2.0424 -2.3620 -0.6358 O.3 1 UNL1111111111 -0.5887 5 O -4.4627 -0.6055 0.4886 O.2 1 UNL1111111111 -0.4982 6 N -0.4096 -0.8286 -0.7425 N.ar 1 UNL1111111111 -0.3321 7 C 1.2080 1.0851 -0.8281 C.3 1 UNL1111111111 0.1012 8 C 2.1653 0.9598 0.3842 C.3 1 UNL1111111111 0.0468 9 C -0.1358 0.5308 -0.5362 C.ar 1 UNL1111111111 -0.0651 10 C 2.3847 -0.4935 0.8481 C.3 1 UNL1111111111 0.0784 11 C -1.2926 1.1461 -0.0800 C.ar 1 UNL1111111111 -0.1618 12 C -1.7246 -1.0754 -0.3951 C.ar 1 UNL1111111111 0.2060 13 C -2.3026 0.1406 0.0101 C.ar 1 UNL1111111111 -0.2910 14 C 2.9962 -1.3900 -0.2435 C.3 1 UNL1111111111 -0.0373 15 C -2.3036 -2.4261 -0.4713 C.3 1 UNL1111111111 -0.4672 16 C -3.6806 0.3196 0.4350 C.2 1 UNL1111111111 0.5307 17 C -4.1196 1.7077 0.8130 C.3 1 UNL1111111111 -0.5427 18 H 1.6654 0.6275 -1.7445 H 1 UNL1111111111 0.1712 19 H 1.8254 1.5941 1.2337 H 1 UNL1111111111 0.1453 20 H 1.4360 -0.9291 1.2455 H 1 UNL1111111111 0.1619 21 H 0.2882 -1.5124 -0.9848 H 1 UNL1111111111 0.3398 22 H -1.4283 2.1782 0.1607 H 1 UNL1111111111 0.1559 23 H 3.2214 -0.8542 -1.1839 H 1 UNL1111111111 0.1586 24 H 3.9168 -1.8860 0.1136 H 1 UNL1111111111 0.1434 25 H 0.5235 2.9472 -0.6332 H 1 UNL1111111111 0.3231 26 H 3.3694 2.2449 -0.5188 H 1 UNL1111111111 0.3464 27 H -2.0630 -3.0256 0.4217 H 1 UNL1111111111 0.1724 28 H -3.4133 -2.3755 -0.5079 H 1 UNL1111111111 0.2079 29 H -1.9778 -2.9886 -1.3570 H 1 UNL1111111111 0.1633 30 H 4.0090 0.0828 1.8186 H 1 UNL1111111111 0.3359 31 H 1.9798 -3.0760 0.0302 H 1 UNL1111111111 0.3316 32 H -4.0105 2.4017 -0.0298 H 1 UNL1111111111 0.1716 33 H -3.5307 2.0961 1.6529 H 1 UNL1111111111 0.1701 34 H -5.1774 1.7168 1.1159 H 1 UNL1111111111 0.1785 @BOND 1 1 7 1 2 1 25 1 3 2 8 1 4 2 26 1 5 3 10 1 6 3 30 1 7 4 14 1 8 4 31 1 9 5 16 2 10 6 9 ar 11 6 12 ar 12 6 21 1 13 7 8 1 14 7 9 1 15 7 18 1 16 8 10 1 17 8 19 1 18 9 11 ar 19 10 14 1 20 10 20 1 21 11 13 ar 22 11 22 1 23 12 13 ar 24 12 15 1 25 13 16 1 26 14 23 1 27 14 24 1 28 15 27 1 29 15 28 1 30 15 29 1 31 16 17 1 32 17 32 1 33 17 33 1 34 17 34 1