@MOLECULE 6-methoxy-1h-indol-5-yl beta-d-glucopyranosiduronic acid 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0705 -0.4194 0.0959 O.3 1 UNL1111111111 -0.4215 2 O 0.3160 1.0482 -0.8386 O.3 1 UNL1111111111 -0.3088 3 O -4.0895 2.0748 -0.8153 O.3 1 UNL1111111111 -0.5602 4 O -1.4820 3.1392 0.1608 O.3 1 UNL1111111111 -0.5451 5 O -4.6003 -0.1874 0.9430 O.3 1 UNL1111111111 -0.5663 6 O -3.4712 -2.6061 1.4215 O.3 1 UNL1111111111 -0.6134 7 O -1.6957 -3.0311 0.1372 O.2 1 UNL1111111111 -0.4262 8 O 1.5482 -0.9622 -2.4314 O.3 1 UNL1111111111 -0.3097 9 N 5.3907 -0.6289 0.4547 N.ar 1 UNL1111111111 -0.3743 10 C -3.2102 1.4957 0.1261 C.3 1 UNL1111111111 0.0754 11 C -1.8115 1.8810 -0.3912 C.3 1 UNL1111111111 0.0608 12 C -3.4413 -0.0253 0.1601 C.3 1 UNL1111111111 0.0609 13 C -0.6908 0.9598 0.1401 C.3 1 UNL1111111111 0.2806 14 C -2.2330 -0.7190 0.8253 C.3 1 UNL1111111111 -0.0093 15 C -2.3618 -2.2259 0.7142 C.2 1 UNL1111111111 0.6134 16 C 1.5410 0.5363 -0.4648 C.ar 1 UNL1111111111 0.0603 17 C 2.2318 1.0829 0.6008 C.ar 1 UNL1111111111 -0.1493 18 C 2.1136 -0.4569 -1.3067 C.ar 1 UNL1111111111 0.2346 19 C 3.5287 0.6318 0.8530 C.ar 1 UNL1111111111 -0.0903 20 C 4.1024 -0.3652 -0.0028 C.ar 1 UNL1111111111 0.1348 21 C 3.4062 -0.9169 -1.0825 C.ar 1 UNL1111111111 -0.3044 22 C 4.5214 0.9548 1.8387 C.ar 1 UNL1111111111 -0.2342 23 C 5.6339 0.1788 1.5745 C.ar 1 UNL1111111111 -0.0312 24 C 0.1444 -1.2003 -2.3991 C.3 1 UNL1111111111 -0.1946 25 H -3.4131 1.9522 1.1243 H 1 UNL1111111111 0.1569 26 H -1.7969 1.9384 -1.5056 H 1 UNL1111111111 0.1684 27 H -3.6428 -0.4260 -0.8593 H 1 UNL1111111111 0.1557 28 H -0.3406 1.2128 1.1599 H 1 UNL1111111111 0.1432 29 H -2.1226 -0.4170 1.8953 H 1 UNL1111111111 0.1725 30 H -5.0190 1.8445 -0.5922 H 1 UNL1111111111 0.3382 31 H -2.0221 3.8424 -0.2627 H 1 UNL1111111111 0.3354 32 H -4.6781 -1.1172 1.2566 H 1 UNL1111111111 0.3498 33 H 1.7926 1.8623 1.2198 H 1 UNL1111111111 0.1702 34 H 3.8418 -1.6732 -1.7258 H 1 UNL1111111111 0.1820 35 H -3.6466 -3.5778 1.4104 H 1 UNL1111111111 0.3709 36 H 4.3998 1.6699 2.6220 H 1 UNL1111111111 0.1636 37 H 6.0238 -1.2794 0.0561 H 1 UNL1111111111 0.3132 38 H 6.5752 0.1342 2.0877 H 1 UNL1111111111 0.1592 39 H -0.1480 -1.7430 -1.4918 H 1 UNL1111111111 0.1568 40 H -0.0002 -1.8290 -3.2861 H 1 UNL1111111111 0.1394 41 H -0.4042 -0.2585 -2.4925 H 1 UNL1111111111 0.1427 @BOND 1 1 13 1 2 1 14 1 3 2 13 1 4 2 16 1 5 3 10 1 6 3 30 1 7 4 11 1 8 4 31 1 9 5 12 1 10 5 32 1 11 6 15 1 12 6 35 1 13 7 15 2 14 8 18 1 15 8 24 1 16 9 20 ar 17 9 23 ar 18 9 37 1 19 10 11 1 20 10 12 1 21 10 25 1 22 11 13 1 23 11 26 1 24 12 14 1 25 12 27 1 26 13 28 1 27 14 15 1 28 14 29 1 29 16 17 ar 30 16 18 ar 31 17 19 ar 32 17 33 1 33 18 21 ar 34 19 20 ar 35 19 22 ar 36 20 21 ar 37 21 34 1 38 22 23 ar 39 22 36 1 40 23 38 1 41 24 39 1 42 24 40 1 43 24 41 1