@MOLECULE 3,6-bis(1h-imidazol-4-ylmethyl)piperazine-2,5-dione 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1060 2.5585 -0.8810 O.2 2 HIS222222222 -0.4956 2 O 0.1006 -2.5467 -0.8942 O.2 1 HIS111111111 -0.4958 3 N 1.1757 0.7524 -0.4378 N.am 1 HIS111111111 -0.6005 4 N -1.1764 -0.7454 -0.4224 N.am 2 HIS222222222 -0.6000 5 ND1 -4.6931 0.0693 -0.7059 N.ar 2 HIS222222222 -0.3713 6 ND1 4.6974 -0.0612 -0.7046 N.ar 1 HIS111111111 -0.3710 7 NE2 -5.2384 -0.5740 1.3763 N.ar 2 HIS222222222 -0.3618 8 NE2 5.2383 0.5510 1.3877 N.ar 1 HIS111111111 -0.3622 9 CA 1.2311 -0.6239 0.0656 C.3 1 HIS111111111 0.0162 10 CA -1.2269 0.6297 0.0802 C.3 2 HIS222222222 0.0166 11 CB 2.5357 -1.3212 -0.3540 C.3 1 HIS111111111 -0.2886 12 CB -2.5357 1.3251 -0.3322 C.3 2 HIS222222222 -0.2891 13 C -0.0249 1.4241 -0.4713 C.2 2 HIS222222222 0.5522 14 C 0.0236 -1.4150 -0.4767 C.2 1 HIS111111111 0.5523 15 CG -3.7032 0.5658 0.1503 C.ar 2 HIS222222222 -0.0180 16 CG 3.7036 -0.5684 0.1411 C.ar 1 HIS111111111 -0.0180 17 CD2 -4.0607 0.1527 1.4370 C.ar 2 HIS222222222 -0.0769 18 CD2 4.0570 -0.1730 1.4347 C.ar 1 HIS111111111 -0.0771 19 CE1 -5.6187 -0.6126 0.0910 C.ar 2 HIS222222222 0.0802 20 CE1 5.6212 0.6081 0.1037 C.ar 1 HIS111111111 0.0805 21 HA 1.1647 -0.6119 1.1914 H 1 HIS111111111 0.1668 22 HA -1.1505 0.6192 1.2055 H 2 HIS222222222 0.1668 23 HB1 2.5551 -1.4676 -1.4566 H 1 HIS111111111 0.1768 24 HB1 -2.5396 2.3638 0.0851 H 2 HIS222222222 0.1974 25 HB2 2.5366 -2.3637 0.0541 H 1 HIS111111111 0.1977 26 HB2 -2.5539 1.4830 -1.4336 H 2 HIS222222222 0.1769 27 H 2.0458 1.1826 -0.7082 H 1 HIS111111111 0.3340 28 H -2.0499 -1.1755 -0.6856 H 2 HIS222222222 0.3346 29 HD1 -4.7427 0.2314 -1.6864 H 2 HIS222222222 0.3165 30 HD1 4.7446 -0.2023 -1.6883 H 1 HIS111111111 0.3163 31 HD2 -3.5631 0.3240 2.3721 H 2 HIS222222222 0.1812 32 HD2 3.5590 -0.3541 2.3665 H 1 HIS111111111 0.1810 33 HE1 -6.4966 -1.1030 -0.2954 H 2 HIS222222222 0.1912 34 HE1 6.5013 1.0996 -0.2729 H 1 HIS111111111 0.1909 @BOND 1 1 13 2 2 2 14 2 3 3 9 1 4 3 13 am 5 3 27 1 6 4 10 1 7 4 14 am 8 4 28 1 9 5 15 ar 10 5 19 ar 11 5 29 1 12 6 16 ar 13 6 20 ar 14 6 30 1 15 7 17 ar 16 7 19 ar 17 8 18 ar 18 8 20 ar 19 9 11 1 20 9 14 1 21 9 21 1 22 10 12 1 23 10 13 1 24 10 22 1 25 11 16 1 26 11 23 1 27 11 25 1 28 12 15 1 29 12 24 1 30 12 26 1 31 15 17 ar 32 16 18 ar 33 17 31 1 34 18 32 1 35 19 33 1 36 20 34 1