@MOLECULE 3-amino-3-deoxy-alpha-d-altropyranosyl 3-amino-3-deoxy-alpha-d-altropyranoside 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1489 1.0562 -0.6090 O.3 1 UNL1111111111 -0.4817 2 O 1.5333 -0.3010 -1.2091 O.3 1 UNL1111111111 -0.4555 3 O -1.4300 -0.8758 -0.6955 O.3 1 UNL1111111111 -0.4476 4 O 1.2290 1.8768 1.7071 O.3 1 UNL1111111111 -0.5269 5 O -3.1210 0.7619 -2.4428 O.3 1 UNL1111111111 -0.5271 6 O 4.1761 0.7691 -1.1924 O.3 1 UNL1111111111 -0.5383 7 O -4.0712 0.0661 1.6177 O.3 1 UNL1111111111 -0.5469 8 O 1.1021 -2.8888 -0.5787 O.3 1 UNL1111111111 -0.5467 9 O -1.1709 -2.7669 1.5461 O.3 1 UNL1111111111 -0.5623 10 N 4.1723 1.4843 1.5314 N.3 1 UNL1111111111 -0.6278 11 N -2.3670 2.1766 0.9207 N.3 1 UNL1111111111 -0.6532 12 C 3.1533 0.5758 0.9865 C.3 1 UNL1111111111 -0.0500 13 C -3.0915 1.4393 -0.1321 C.3 1 UNL1111111111 -0.0493 14 C 1.8503 1.3124 0.5836 C.3 1 UNL1111111111 0.0275 15 C -2.2916 1.3256 -1.4510 C.3 1 UNL1111111111 0.0294 16 C 0.8995 0.3005 -0.0844 C.3 1 UNL1111111111 0.2698 17 C -1.1249 0.3139 -1.3377 C.3 1 UNL1111111111 0.3181 18 C 3.7321 -0.1708 -0.2424 C.3 1 UNL1111111111 0.0808 19 C -3.4033 0.0099 0.3872 C.3 1 UNL1111111111 0.1119 20 C 2.6735 -1.0738 -0.9016 C.3 1 UNL1111111111 0.0083 21 C -2.0952 -0.7838 0.5624 C.3 1 UNL1111111111 0.0158 22 C 2.2855 -2.3085 -0.0750 C.3 1 UNL1111111111 -0.0515 23 C -2.3399 -2.2449 0.9558 C.3 1 UNL1111111111 -0.0142 24 H 2.9222 -0.1653 1.7992 H 1 UNL1111111111 0.1550 25 H -4.0665 1.9551 -0.3274 H 1 UNL1111111111 0.1568 26 H 2.0315 2.1976 -0.0662 H 1 UNL1111111111 0.1731 27 H -1.9039 2.3148 -1.7786 H 1 UNL1111111111 0.1398 28 H 0.5229 -0.4853 0.6048 H 1 UNL1111111111 0.1334 29 H -0.7124 -0.0210 -2.3154 H 1 UNL1111111111 0.1670 30 H 4.6626 -0.7213 0.0272 H 1 UNL1111111111 0.1704 31 H -4.1151 -0.5117 -0.2921 H 1 UNL1111111111 0.1630 32 H 3.0023 -1.3758 -1.9300 H 1 UNL1111111111 0.1802 33 H -1.4222 -0.2945 1.2996 H 1 UNL1111111111 0.1436 34 H 2.1227 -2.0858 0.9945 H 1 UNL1111111111 0.1255 35 H 3.0383 -3.1158 -0.1627 H 1 UNL1111111111 0.1552 36 H -2.6466 -2.8637 0.0948 H 1 UNL1111111111 0.1349 37 H -3.0967 -2.3134 1.7652 H 1 UNL1111111111 0.1687 38 H 3.7511 2.2013 2.1060 H 1 UNL1111111111 0.2638 39 H 4.7120 1.9196 0.7952 H 1 UNL1111111111 0.2666 40 H -2.4626 3.1745 0.8217 H 1 UNL1111111111 0.2576 41 H -1.3794 1.9496 0.9292 H 1 UNL1111111111 0.2775 42 H 1.0624 1.2085 2.4064 H 1 UNL1111111111 0.3175 43 H -3.6336 1.4526 -2.9091 H 1 UNL1111111111 0.3191 44 H 3.4066 1.1630 -1.6659 H 1 UNL1111111111 0.3291 45 H -3.6640 0.7684 2.1850 H 1 UNL1111111111 0.3447 46 H 0.4933 -2.1914 -0.9292 H 1 UNL1111111111 0.3424 47 H -0.4833 -2.9460 0.8661 H 1 UNL1111111111 0.3325 @BOND 1 1 16 1 2 1 17 1 3 2 16 1 4 2 20 1 5 3 17 1 6 3 21 1 7 4 14 1 8 4 42 1 9 5 15 1 10 5 43 1 11 6 18 1 12 6 44 1 13 7 19 1 14 7 45 1 15 8 22 1 16 8 46 1 17 9 23 1 18 9 47 1 19 10 12 1 20 10 38 1 21 10 39 1 22 11 13 1 23 11 40 1 24 11 41 1 25 12 14 1 26 12 18 1 27 12 24 1 28 13 15 1 29 13 19 1 30 13 25 1 31 14 16 1 32 14 26 1 33 15 17 1 34 15 27 1 35 16 28 1 36 17 29 1 37 18 20 1 38 18 30 1 39 19 21 1 40 19 31 1 41 20 22 1 42 20 32 1 43 21 23 1 44 21 33 1 45 22 34 1 46 22 35 1 47 23 36 1 48 23 37 1