@MOLECULE {4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.5428 0.3659 -1.2192 O.2 1 UNL1111111111 -0.8705 2 S -5.3758 -0.4647 -0.0656 S.O2 1 UNL1111111111 2.5452 3 O -6.4142 -1.2818 0.4812 O.2 1 UNL1111111111 -0.8476 4 O -4.0544 -1.4067 -0.3740 O.3 1 UNL1111111111 -0.8418 5 N -4.7370 0.4682 1.2474 N.pl3 1 UNL1111111111 -0.8370 6 C -3.4358 1.0147 1.1488 C.ar 1 UNL1111111111 0.2136 7 C -2.5522 0.9077 2.2340 C.ar 1 UNL1111111111 -0.2477 8 C -1.2392 1.3433 2.0950 C.ar 1 UNL1111111111 -0.0987 9 C -0.7958 1.8738 0.8825 C.ar 1 UNL1111111111 -0.0534 10 C -1.7138 2.0890 -0.1498 C.ar 1 UNL1111111111 -0.1038 11 C -3.0302 1.6667 -0.0259 C.ar 1 UNL1111111111 -0.2637 12 C 0.6546 2.1466 0.6478 C.3 1 UNL1111111111 -0.2854 13 C 1.4071 0.8266 0.2865 C.3 1 UNL1111111111 0.0996 14 C 2.7627 1.1692 -0.2570 C.ar 1 UNL1111111111 0.2085 15 N 3.5465 2.1731 0.1427 N.ar 1 UNL1111111111 -0.2614 16 O 4.7173 2.0823 -0.5661 O.2 1 UNL1111111111 -0.0216 17 C 4.5950 0.9775 -1.4103 C.ar 1 UNL1111111111 0.2703 18 C 5.7330 0.6464 -2.2649 C.3 1 UNL1111111111 -0.4432 19 N 3.4154 0.4071 -1.2524 N.ar 1 UNL1111111111 -0.4334 20 C 0.6051 0.1151 -0.7660 C.ar 1 UNL1111111111 0.2247 21 N 0.3543 0.5511 -2.0028 N.ar 1 UNL1111111111 -0.2447 22 O -0.4692 -0.3661 -2.6041 O.2 1 UNL1111111111 -0.0136 23 C -0.7057 -1.3712 -1.6710 C.ar 1 UNL1111111111 0.2526 24 C -1.5627 -2.4855 -2.0690 C.3 1 UNL1111111111 -0.4569 25 N -0.0738 -1.1062 -0.5420 N.ar 1 UNL1111111111 -0.4540 26 C 1.5910 -0.0416 1.5623 C.3 1 UNL1111111111 -0.2867 27 C 2.7454 -0.9926 1.4618 C.ar 1 UNL1111111111 -0.0002 28 C 3.9859 -0.6335 1.9957 C.ar 1 UNL1111111111 -0.1699 29 C 5.0714 -1.4977 1.8807 C.ar 1 UNL1111111111 -0.1564 30 C 4.9224 -2.7243 1.2361 C.ar 1 UNL1111111111 -0.1551 31 C 3.6814 -3.0912 0.7193 C.ar 1 UNL1111111111 -0.1409 32 C 2.5923 -2.2313 0.8386 C.ar 1 UNL1111111111 -0.1407 33 H -3.2767 -0.9775 -0.7597 H 1 UNL1111111111 0.3910 34 H -5.0368 0.2142 2.1882 H 1 UNL1111111111 0.3223 35 H -2.8803 0.4658 3.1706 H 1 UNL1111111111 0.1574 36 H -0.5494 1.2449 2.9331 H 1 UNL1111111111 0.1555 37 H -1.3890 2.5729 -1.0743 H 1 UNL1111111111 0.1679 38 H -3.7373 1.8627 -0.8364 H 1 UNL1111111111 0.1927 39 H 1.1344 2.6211 1.5292 H 1 UNL1111111111 0.1775 40 H 0.7935 2.8820 -0.1761 H 1 UNL1111111111 0.1771 41 H 6.5363 1.4003 -2.2202 H 1 UNL1111111111 0.1807 42 H 6.1737 -0.3289 -1.9777 H 1 UNL1111111111 0.1939 43 H 5.4235 0.5464 -3.3239 H 1 UNL1111111111 0.1970 44 H -2.2597 -2.2232 -2.8833 H 1 UNL1111111111 0.1846 45 H -0.9627 -3.3471 -2.4208 H 1 UNL1111111111 0.1929 46 H -2.1693 -2.8651 -1.2190 H 1 UNL1111111111 0.2072 47 H 1.7250 0.6267 2.4390 H 1 UNL1111111111 0.1629 48 H 0.6487 -0.6046 1.7585 H 1 UNL1111111111 0.1873 49 H 4.1088 0.3271 2.4927 H 1 UNL1111111111 0.1550 50 H 6.0360 -1.2135 2.2940 H 1 UNL1111111111 0.1451 51 H 5.7719 -3.3955 1.1399 H 1 UNL1111111111 0.1448 52 H 3.5608 -4.0493 0.2189 H 1 UNL1111111111 0.1480 53 H 1.6207 -2.5213 0.4355 H 1 UNL1111111111 0.1733 @BOND 1 1 2 2 2 2 3 2 3 2 4 1 4 2 5 1 5 4 33 1 6 5 6 1 7 5 34 1 8 6 7 ar 9 6 11 ar 10 7 8 ar 11 7 35 1 12 8 9 ar 13 8 36 1 14 9 10 ar 15 9 12 1 16 10 11 ar 17 10 37 1 18 11 38 1 19 12 13 1 20 12 39 1 21 12 40 1 22 13 14 1 23 13 20 1 24 13 26 1 25 14 15 ar 26 14 19 ar 27 15 16 ar 28 16 17 ar 29 17 18 1 30 17 19 ar 31 18 41 1 32 18 42 1 33 18 43 1 34 20 21 ar 35 20 25 ar 36 21 22 ar 37 22 23 ar 38 23 24 1 39 23 25 ar 40 24 44 1 41 24 45 1 42 24 46 1 43 26 27 1 44 26 47 1 45 26 48 1 46 27 28 ar 47 27 32 ar 48 28 29 ar 49 28 49 1 50 29 30 ar 51 29 50 1 52 30 31 ar 53 30 51 1 54 31 32 ar 55 31 52 1 56 32 53 1