@MOLECULE 1,4:3,6-dianhydro-2,5-bis-o-(3-carbamimidoylphenyl)-d-glucitol 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 N 6.8399 -2.6271 1.1396 N.2 1 UNL1111111111 -0.6273 2 C 6.4940 -1.3855 1.0753 C.2 1 UNL1111111111 0.3910 3 N 7.0433 -0.5032 2.0142 N.pl3 1 UNL1111111111 -0.6230 4 C 5.5115 -0.7617 0.1440 C.ar 1 UNL1111111111 -0.0612 5 C 5.7868 -0.7302 -1.2244 C.ar 1 UNL1111111111 -0.2013 6 C 4.8725 -0.1472 -2.0988 C.ar 1 UNL1111111111 -0.0891 7 C 3.6893 0.4128 -1.6199 C.ar 1 UNL1111111111 -0.2445 8 C 3.4358 0.3652 -0.2500 C.ar 1 UNL1111111111 0.2411 9 O 2.3071 0.8283 0.3579 O.3 1 UNL1111111111 -0.3439 10 C 1.6169 1.9078 -0.2567 C.3 1 UNL1111111111 0.0232 11 C 0.7841 2.4812 0.9046 C.3 1 UNL1111111111 -0.0703 12 O -0.5962 2.3618 0.5741 O.3 1 UNL1111111111 -0.3936 13 C -0.7685 1.4888 -0.5191 C.3 1 UNL1111111111 0.0295 14 C -1.0112 0.0359 -0.0473 C.3 1 UNL1111111111 0.0277 15 O -2.2454 -0.4491 -0.5560 O.3 1 UNL1111111111 -0.3470 16 C -3.3852 -0.1017 0.1059 C.ar 1 UNL1111111111 0.2445 17 C -3.4743 0.8416 1.1280 C.ar 1 UNL1111111111 -0.2810 18 C -4.7198 1.0904 1.7025 C.ar 1 UNL1111111111 -0.0788 19 C -5.8514 0.4063 1.2676 C.ar 1 UNL1111111111 -0.1918 20 C -5.7355 -0.5312 0.2388 C.ar 1 UNL1111111111 0.0162 21 C -6.9489 -1.2675 -0.2140 C.2 1 UNL1111111111 0.4146 22 N -7.6794 -0.7993 -1.1608 N.2 1 UNL1111111111 -0.6140 23 N -7.2092 -2.4351 0.5189 N.pl3 1 UNL1111111111 -0.7130 24 C -4.5113 -0.7968 -0.3602 C.ar 1 UNL1111111111 -0.2270 25 C 0.0606 -0.7985 -0.7673 C.3 1 UNL1111111111 -0.0659 26 O 0.7736 0.0661 -1.6542 O.3 1 UNL1111111111 -0.3664 27 C 0.5671 1.4069 -1.2867 C.3 1 UNL1111111111 0.0229 28 C 4.3360 -0.2221 0.6496 C.ar 1 UNL1111111111 -0.2182 29 H 6.3929 -3.3150 0.5630 H 1 UNL1111111111 0.2816 30 H 7.7781 -0.8638 2.5992 H 1 UNL1111111111 0.3039 31 H 7.1352 0.4563 1.7541 H 1 UNL1111111111 0.2907 32 H 6.7114 -1.1593 -1.6058 H 1 UNL1111111111 0.1642 33 H 5.0806 -0.1300 -3.1690 H 1 UNL1111111111 0.1569 34 H 2.9678 0.8441 -2.3089 H 1 UNL1111111111 0.1759 35 H 2.3355 2.6256 -0.6894 H 1 UNL1111111111 0.1396 36 H 0.9487 1.9238 1.8464 H 1 UNL1111111111 0.1555 37 H 0.9395 3.5583 1.0717 H 1 UNL1111111111 0.1473 38 H -1.6253 1.9058 -1.0819 H 1 UNL1111111111 0.1723 39 H -0.9778 -0.0662 1.0552 H 1 UNL1111111111 0.1545 40 H -2.6020 1.3937 1.4718 H 1 UNL1111111111 0.1789 41 H -4.8056 1.8310 2.4978 H 1 UNL1111111111 0.1522 42 H -6.8238 0.6060 1.7133 H 1 UNL1111111111 0.1662 43 H -8.5049 -1.2695 -1.4789 H 1 UNL1111111111 0.2724 44 H -7.8949 -3.0855 0.2055 H 1 UNL1111111111 0.2963 45 H -6.5300 -2.7907 1.1562 H 1 UNL1111111111 0.3036 46 H -4.4146 -1.5073 -1.1777 H 1 UNL1111111111 0.1805 47 H 0.7986 -1.2325 -0.0723 H 1 UNL1111111111 0.1494 48 H -0.3644 -1.5795 -1.4245 H 1 UNL1111111111 0.1648 49 H 0.5979 1.9639 -2.2402 H 1 UNL1111111111 0.1553 50 H 4.1124 -0.2455 1.7154 H 1 UNL1111111111 0.1848 @BOND 1 1 2 2 2 1 29 1 3 2 3 1 4 2 4 1 5 3 30 1 6 3 31 1 7 4 5 ar 8 4 28 ar 9 5 6 ar 10 5 32 1 11 6 7 ar 12 6 33 1 13 7 8 ar 14 7 34 1 15 8 9 1 16 8 28 ar 17 9 10 1 18 10 11 1 19 10 27 1 20 10 35 1 21 11 12 1 22 11 36 1 23 11 37 1 24 12 13 1 25 13 14 1 26 13 27 1 27 13 38 1 28 14 15 1 29 14 25 1 30 14 39 1 31 15 16 1 32 16 17 ar 33 16 24 ar 34 17 18 ar 35 17 40 1 36 18 19 ar 37 18 41 1 38 19 20 ar 39 19 42 1 40 20 21 1 41 20 24 ar 42 21 22 2 43 21 23 1 44 22 43 1 45 23 44 1 46 23 45 1 47 24 46 1 48 25 26 1 49 25 47 1 50 25 48 1 51 26 27 1 52 27 49 1 53 28 50 1