@MOLECULE roxadustat 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2109 1.1501 0.6023 O.3 1 UNL1111111111 -0.0790 2 O 1.7818 2.7790 -0.1753 O.3 1 UNL1111111111 -0.2244 3 O 4.0552 1.5990 -0.5619 O.2 1 UNL1111111111 -0.3846 4 O 5.6774 -2.1867 0.9194 O.3 1 UNL1111111111 -0.4378 5 OXT 7.4376 -0.8184 0.8280 O.2 1 UNL1111111111 -0.3707 6 N 1.4852 -0.8589 -0.2239 N.ar 1 UNL1111111111 -0.4671 7 N 4.2167 -0.6531 -0.6869 N.am 1 UNL1111111111 -0.5701 8 C -0.7021 0.1476 0.0901 C.ar 1 UNL1111111111 -0.1988 9 C -0.1387 1.4404 0.0560 C.ar 1 UNL1111111111 0.4463 10 C 0.1897 -0.9904 -0.0480 C.ar 1 UNL1111111111 0.4281 11 C 1.2774 1.5484 -0.1377 C.ar 1 UNL1111111111 -0.3310 12 C -2.0942 0.0086 0.2521 C.ar 1 UNL1111111111 -0.3219 13 CA 2.0431 0.3943 -0.2805 C.ar 1 UNL1111111111 0.0996 14 C -0.9560 2.5879 0.2039 C.ar 1 UNL1111111111 -0.3568 15 C -2.8641 1.1470 0.3803 C.ar 1 UNL1111111111 0.0845 16 C -2.3116 2.4526 0.3671 C.ar 1 UNL1111111111 -0.1828 17 C -0.3557 -2.3799 0.0080 C.3 1 UNL1111111111 -0.8529 18 C 3.4987 0.4979 -0.5028 C.2 1 ACE1111111111 0.3449 19 C -4.9401 0.0424 0.2152 C.ar 1 UNL1111111111 0.1598 20 CA 5.6615 -0.5938 -0.8301 C.3 1 UNL1111111111 -0.2136 21 C -4.8634 -0.4748 -1.0762 C.ar 1 UNL1111111111 -0.3385 22 C -5.8507 -0.4245 1.1626 C.ar 1 UNL1111111111 -0.2924 23 C -5.7417 -1.4974 -1.4267 C.ar 1 UNL1111111111 -0.0692 24 C -6.7242 -1.4415 0.7857 C.ar 1 UNL1111111111 -0.0909 25 C -6.6688 -1.9774 -0.5013 C.ar 1 UNL1111111111 -0.2718 26 C 6.3773 -1.1581 0.3805 C.2 1 UNL1111111111 0.3957 27 H -2.5465 -0.9798 0.2835 H 1 UNL1111111111 0.2375 28 H -0.4838 3.5757 0.1807 H 1 UNL1111111111 0.2823 29 H -2.9722 3.3103 0.4834 H 1 UNL1111111111 0.2206 30 H -1.0843 -2.5572 -0.7958 H 1 UNL1111111111 0.2601 31 H 0.4400 -3.1353 -0.1057 H 1 UNL1111111111 0.2710 32 H -0.8490 -2.5774 0.9710 H 1 UNL1111111111 0.2646 33 H 3.7845 -1.5630 -0.5454 H 1 UNL1111111111 0.4675 34 H 2.8089 2.7358 -0.3222 H 1 UNL1111111111 0.3582 35 HA1 6.0023 0.4698 -0.9900 H 1 UNL1111111111 0.2096 36 HA2 5.9761 -1.1690 -1.7376 H 1 UNL1111111111 0.2096 37 H -4.1458 -0.0801 -1.7915 H 1 UNL1111111111 0.2154 38 H -5.8754 0.0069 2.1607 H 1 UNL1111111111 0.2215 39 H -5.7067 -1.9197 -2.4305 H 1 UNL1111111111 0.1730 40 H -7.4540 -1.8195 1.5011 H 1 UNL1111111111 0.1756 41 H -7.3556 -2.7722 -0.7853 H 1 UNL1111111111 0.1945 42 H 6.0948 -2.5724 1.7294 H 1 UNL1111111111 0.3345 @BOND 1 1 15 1 2 1 19 1 3 2 11 1 4 2 34 1 5 3 18 2 6 4 26 1 7 4 42 1 8 5 26 2 9 6 10 ar 10 6 13 ar 11 7 18 am 12 7 20 1 13 7 33 1 14 8 9 ar 15 8 10 ar 16 8 12 ar 17 9 11 ar 18 9 14 ar 19 10 17 1 20 11 13 ar 21 12 15 ar 22 12 27 1 23 13 18 1 24 14 16 ar 25 14 28 1 26 15 16 ar 27 16 29 1 28 17 30 1 29 17 31 1 30 17 32 1 31 19 21 ar 32 19 22 ar 33 20 26 1 34 20 35 1 35 20 36 1 36 21 23 ar 37 21 37 1 38 22 24 ar 39 22 38 1 40 23 25 ar 41 23 39 1 42 24 25 ar 43 24 40 1 44 25 41 1