@MOLECULE ur-144 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0289 -2.3529 -0.2675 O.2 1 UNL1111111111 -0.4610 2 N -1.5691 -0.0984 1.4879 N.ar 1 UNL1111111111 -0.2735 3 C 2.6031 1.1111 0.0265 C.3 1 UNL1111111111 0.0337 4 C 3.7654 0.1669 -0.2937 C.3 1 UNL1111111111 0.0643 5 C 2.6677 -0.2720 0.6675 C.3 1 UNL1111111111 -0.3544 6 C 1.5652 1.3999 -1.0305 C.3 1 UNL1111111111 -0.4423 7 C 2.8346 2.3122 0.9128 C.3 1 UNL1111111111 -0.4407 8 C 3.8594 -0.4801 -1.6522 C.3 1 UNL1111111111 -0.4401 9 C 5.1336 0.4515 0.2805 C.3 1 UNL1111111111 -0.4462 10 C 1.6866 -1.3341 0.2876 C.2 1 UNL1111111111 0.5251 11 C 0.2975 -1.0588 0.6246 C.ar 1 UNL1111111111 -0.2827 12 C -0.8411 -1.7554 0.0937 C.ar 1 UNL1111111111 -0.0174 13 C -0.1831 -0.0493 1.4524 C.ar 1 UNL1111111111 0.0390 14 C -2.0055 -1.1143 0.6240 C.ar 1 UNL1111111111 0.0781 15 C -0.9860 -2.8361 -0.7808 C.ar 1 UNL1111111111 -0.0996 16 C -2.4074 0.9580 2.0370 C.3 1 UNL1111111111 -0.0823 17 C -3.2960 -1.5370 0.2852 C.ar 1 UNL1111111111 -0.2101 18 C -2.2694 2.2653 1.2313 C.3 1 UNL1111111111 -0.2984 19 C -2.2636 -3.2459 -1.1160 C.ar 1 UNL1111111111 -0.1840 20 C -3.4037 -2.6033 -0.5894 C.ar 1 UNL1111111111 -0.1236 21 C -2.7813 2.1028 -0.2036 C.3 1 UNL1111111111 -0.2745 22 C -2.3884 3.3101 -1.0641 C.3 1 UNL1111111111 -0.2484 23 C -2.8095 3.0914 -2.5170 C.3 1 UNL1111111111 -0.4383 24 H 2.9209 -0.3448 1.7320 H 1 UNL1111111111 0.1773 25 H 1.9407 2.1316 -1.7567 H 1 UNL1111111111 0.1516 26 H 0.6438 1.8030 -0.5910 H 1 UNL1111111111 0.1470 27 H 1.2703 0.5035 -1.5933 H 1 UNL1111111111 0.1597 28 H 3.2940 3.1305 0.3426 H 1 UNL1111111111 0.1513 29 H 1.8919 2.6882 1.3285 H 1 UNL1111111111 0.1422 30 H 3.4973 2.0957 1.7582 H 1 UNL1111111111 0.1456 31 H 4.3468 -1.4641 -1.5772 H 1 UNL1111111111 0.1636 32 H 2.8769 -0.6702 -2.1040 H 1 UNL1111111111 0.1592 33 H 4.4334 0.1374 -2.3510 H 1 UNL1111111111 0.1420 34 H 5.7667 -0.4456 0.2428 H 1 UNL1111111111 0.1548 35 H 5.0999 0.7728 1.3269 H 1 UNL1111111111 0.1430 36 H 5.6405 1.2397 -0.2900 H 1 UNL1111111111 0.1478 37 H 0.3734 0.6775 2.0196 H 1 UNL1111111111 0.1707 38 H -0.0951 -3.3311 -1.1727 H 1 UNL1111111111 0.1802 39 H -3.4691 0.6199 2.0467 H 1 UNL1111111111 0.1549 40 H -2.1190 1.1310 3.1007 H 1 UNL1111111111 0.1496 41 H -4.1732 -1.0480 0.6913 H 1 UNL1111111111 0.1509 42 H -1.2100 2.5881 1.2201 H 1 UNL1111111111 0.1490 43 H -2.8259 3.0722 1.7437 H 1 UNL1111111111 0.1453 44 H -2.4034 -4.0825 -1.7974 H 1 UNL1111111111 0.1515 45 H -4.3888 -2.9626 -0.8828 H 1 UNL1111111111 0.1471 46 H -2.3692 1.1777 -0.6575 H 1 UNL1111111111 0.1573 47 H -3.8785 1.9703 -0.2095 H 1 UNL1111111111 0.1376 48 H -2.8540 4.2306 -0.6665 H 1 UNL1111111111 0.1305 49 H -1.2946 3.4742 -1.0121 H 1 UNL1111111111 0.1353 50 H -2.5305 3.9439 -3.1458 H 1 UNL1111111111 0.1406 51 H -2.3321 2.1996 -2.9416 H 1 UNL1111111111 0.1494 52 H -3.8931 2.9570 -2.6056 H 1 UNL1111111111 0.1422 @BOND 1 1 10 2 2 2 13 ar 3 2 14 ar 4 2 16 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 7 1 9 4 5 1 10 4 8 1 11 4 9 1 12 5 10 1 13 5 24 1 14 6 25 1 15 6 26 1 16 6 27 1 17 7 28 1 18 7 29 1 19 7 30 1 20 8 31 1 21 8 32 1 22 8 33 1 23 9 34 1 24 9 35 1 25 9 36 1 26 10 11 1 27 11 12 ar 28 11 13 ar 29 12 14 ar 30 12 15 ar 31 13 37 1 32 14 17 ar 33 15 19 ar 34 15 38 1 35 16 18 1 36 16 39 1 37 16 40 1 38 17 20 ar 39 17 41 1 40 18 21 1 41 18 42 1 42 18 43 1 43 19 20 ar 44 19 44 1 45 20 45 1 46 21 22 1 47 21 46 1 48 21 47 1 49 22 23 1 50 22 48 1 51 22 49 1 52 23 50 1 53 23 51 1 54 23 52 1