@MOLECULE (1R,2R)-N2-[3-(2-naphthyl)pyrazolo[1,5-a]pyrimidin-4-ium-3-id-5-yl]cyclohexane-1,2-diamine 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 N 3.2670 -0.3680 -0.0527 N.pl3 1 UNL11 -0.5413 2 N 4.2711 1.4288 2.0405 N.3 1 UNL11 -0.6610 3 N 1.0755 -1.2020 -0.0560 N.ar 1 UNL11 -0.5341 4 N 0.7340 -3.5912 -0.2403 N.ar 1 UNL11 -0.2783 5 N -0.4756 -4.4838 -0.2538 N.ar 1 UNL11 -0.3544 6 C 2.7602 1.0126 0.0743 C.3 1 UNL11 0.0552 7 C 3.9136 1.8741 0.6738 C.3 1 UNL11 0.0343 8 C 2.3093 1.5671 -1.2902 C.3 1 UNL11 -0.3078 9 C 3.4544 3.3441 0.7808 C.3 1 UNL11 -0.2753 10 C 1.8686 3.0258 -1.1404 C.3 1 UNL11 -0.2515 11 C 3.0188 3.8748 -0.5862 C.3 1 UNL11 -0.2804 12 C 2.4029 -1.4354 -0.1707 C.ar 1 UNL11 0.4425 13 C 2.9472 -2.7512 -0.3529 C.ar 1 UNL11 -0.4405 14 C 0.2430 -2.2709 -0.0807 C.ar 1 UNL11 0.4011 15 C -1.1789 -2.3312 0.0117 C.ar 1 UNL11 -0.2748 16 C 2.0719 -3.8159 -0.3783 C.ar 1 UNL11 0.1205 17 C -2.1021 -1.2352 0.1725 C.ar 1 UNL11 0.0804 18 C -1.5561 -3.6933 -0.1098 C.ar 1 UNL11 0.0961 19 C -1.8125 0.0365 -0.2732 C.ar 1 UNL11 -0.1781 20 C -3.3647 -1.4888 0.7889 C.ar 1 UNL11 -0.1683 21 C -2.7737 1.0760 -0.1729 C.ar 1 UNL11 0.0190 22 C -4.0365 0.8057 0.3985 C.ar 1 UNL11 -0.0310 23 C -4.3037 -0.4991 0.8961 C.ar 1 UNL11 -0.1521 24 C -2.5021 2.3870 -0.6571 C.ar 1 UNL11 -0.1544 25 C -5.0120 1.8372 0.4610 C.ar 1 UNL11 -0.1524 26 C -3.4595 3.3656 -0.5875 C.ar 1 UNL11 -0.1557 27 C -4.7316 3.0874 -0.0268 C.ar 1 UNL11 -0.1633 28 H 1.8828 1.0071 0.7806 H 1 UNL11 0.1861 29 H 4.8051 1.8239 0.0022 H 1 UNL11 0.1164 30 H 1.4686 0.9516 -1.6735 H 1 UNL11 0.1652 31 H 3.1176 1.4820 -2.0357 H 1 UNL11 0.1335 32 H 4.2794 3.9520 1.1967 H 1 UNL11 0.1445 33 H 2.6326 3.4263 1.5179 H 1 UNL11 0.1582 34 H 1.5323 3.4227 -2.1152 H 1 UNL11 0.1330 35 H 0.9921 3.0901 -0.4650 H 1 UNL11 0.1492 36 H 3.8713 3.8708 -1.2900 H 1 UNL11 0.1317 37 H 2.7087 4.9322 -0.5003 H 1 UNL11 0.1341 38 H 4.1926 -0.4706 -0.4441 H 1 UNL11 0.3032 39 H 5.2213 1.1063 2.1044 H 1 UNL11 0.2464 40 H 3.6637 0.6986 2.3762 H 1 UNL11 0.2639 41 H 4.0137 -2.8956 -0.4507 H 1 UNL11 0.1793 42 H 2.3998 -4.8507 -0.5056 H 1 UNL11 0.1641 43 H -0.4528 -5.4713 -0.3756 H 1 UNL11 0.2761 44 H -2.5745 -4.0607 -0.1054 H 1 UNL11 0.1576 45 H -0.8390 0.2570 -0.7139 H 1 UNL11 0.1776 46 H -3.5643 -2.4809 1.1863 H 1 UNL11 0.1469 47 H -5.2666 -0.6923 1.3638 H 1 UNL11 0.1468 48 H -1.5221 2.5905 -1.0848 H 1 UNL11 0.1534 49 H -5.9828 1.6138 0.8985 H 1 UNL11 0.1478 50 H -3.2615 4.3681 -0.9596 H 1 UNL11 0.1450 51 H -5.4751 3.8799 0.0105 H 1 UNL11 0.1462 @BOND 1 1 6 1 2 1 12 1 3 1 38 1 4 2 7 1 5 2 39 1 6 2 40 1 7 3 12 ar 8 3 14 ar 9 4 5 ar 10 4 14 ar 11 4 16 ar 12 5 18 ar 13 5 43 1 14 6 7 1 15 6 8 1 16 6 28 1 17 7 9 1 18 7 29 1 19 8 10 1 20 8 30 1 21 8 31 1 22 9 11 1 23 9 32 1 24 9 33 1 25 10 11 1 26 10 34 1 27 10 35 1 28 11 36 1 29 11 37 1 30 12 13 ar 31 13 16 ar 32 13 41 1 33 14 15 ar 34 15 17 1 35 15 18 ar 36 16 42 1 37 17 19 ar 38 17 20 ar 39 18 44 1 40 19 21 ar 41 19 45 1 42 20 23 ar 43 20 46 1 44 21 22 ar 45 21 24 ar 46 22 23 ar 47 22 25 ar 48 23 47 1 49 24 26 ar 50 24 48 1 51 25 27 ar 52 25 49 1 53 26 27 ar 54 26 50 1 55 27 51 1