Melibiose, TMS, ID: R577229 NIST 24032900422D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 55 56 0 0 0 1 V2000 8.7824 3.7158 0.0000 C 0 0 0 0 0 0 0 0 0 8.7824 2.7503 0.0000 O 0 0 0 0 0 0 0 0 0 9.6157 2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 10.4489 2.7503 0.0000 C 0 0 0 0 0 0 0 0 0 10.4489 3.7158 0.0000 C 0 0 0 0 0 0 0 0 0 9.6157 4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 11.2791 4.2035 0.0000 O 0 0 0 0 0 0 0 0 0 11.2791 2.2675 0.0000 O 0 0 0 0 0 0 0 0 0 9.6065 1.3069 0.0000 O 0 0 0 0 0 0 0 0 0 7.9436 4.1986 0.0000 C 0 0 0 0 0 0 0 0 0 2.5211 3.7207 0.0000 C 0 0 0 0 0 0 0 0 0 2.5211 2.7552 0.0000 C 0 0 0 0 0 0 0 0 0 3.3544 2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 4.1877 2.7552 0.0000 C 0 0 0 0 0 0 0 0 0 4.1877 3.7207 0.0000 C 0 0 0 0 0 0 0 0 0 3.3544 4.2083 0.0000 O 0 0 0 0 0 0 0 0 0 5.0178 4.2083 0.0000 O 0 0 0 0 0 0 0 0 0 5.0178 2.2724 0.0000 O 0 0 0 0 0 0 0 0 0 3.3453 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 1.6823 2.2772 0.0000 O 0 0 0 0 0 0 0 0 0 1.6823 4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 9.6064 5.1738 0.0000 O 0 0 0 0 0 0 0 0 0 10.4403 5.6615 0.0000 Si 0 0 0 0 0 0 0 0 0 9.9526 6.5001 0.0000 C 0 0 0 0 0 0 0 0 0 10.9181 4.8276 0.0000 C 0 0 0 0 0 0 0 0 0 11.2741 6.1490 0.0000 C 0 0 0 0 0 0 0 0 0 12.1129 3.7255 0.0000 Si 0 0 0 0 0 0 0 0 0 11.6252 2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 12.5908 4.5643 0.0000 C 0 0 0 0 0 0 0 0 0 12.9468 3.2427 0.0000 C 0 0 0 0 0 0 0 0 0 11.2741 1.3068 0.0000 Si 0 0 0 0 0 0 0 0 0 10.3086 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 12.2397 1.3068 0.0000 C 0 0 0 0 0 0 0 0 0 11.2692 0.3413 0.0000 C 0 0 0 0 0 0 0 0 0 8.7676 0.8339 0.0000 Si 0 0 0 0 0 0 0 0 0 8.2801 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 9.2456 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 7.9290 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 5.0129 1.3117 0.0000 Si 0 0 0 0 0 0 0 0 0 4.0474 1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 5.9784 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 5.0080 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 2.5064 0.8339 0.0000 Si 0 0 0 0 0 0 0 0 0 2.0188 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 2.9843 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1.6677 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 1.6774 5.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0.8387 5.6566 0.0000 Si 0 0 0 0 0 0 0 0 0 0.3511 4.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 6.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0.8436 2.7600 0.0000 Si 0 0 0 0 0 0 0 0 0 0.3559 1.9261 0.0000 C 0 0 0 0 0 0 0 0 0 1.3214 3.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0.0048 3.2427 0.0000 C 0 0 0 0 0 0 0 0 0 1.3166 6.4953 0.0000 C 0 0 0 0 0 0 0 0 0 7 27 1 0 0 0 2 1 1 0 0 0 27 28 1 0 0 0 4 8 1 1 0 0 27 29 1 0 0 0 11 16 1 0 0 0 27 30 1 0 0 0 13 12 1 0 0 0 8 31 1 0 0 0 14 13 1 0 0 0 31 32 1 0 0 0 15 14 1 0 0 0 31 33 1 0 0 0 16 15 1 0 0 0 31 34 1 0 0 0 1 6 1 0 0 0 9 35 1 0 0 0 15 17 1 6 0 0 35 36 1 0 0 0 3 9 1 6 0 0 35 37 1 0 0 0 14 18 1 6 0 0 35 38 1 0 0 0 3 2 1 0 0 0 18 39 1 0 0 0 13 19 1 1 0 0 39 40 1 0 0 0 12 20 1 1 0 0 39 41 1 0 0 0 4 3 1 0 0 0 39 42 1 0 0 0 11 21 1 1 0 0 19 43 1 0 0 0 1 10 1 0 0 0 43 44 1 0 0 0 10 17 1 0 0 0 43 45 1 0 0 0 6 22 1 1 0 0 43 46 1 0 0 0 21 47 1 0 0 0 22 23 1 0 0 0 47 48 1 0 0 0 12 11 1 0 0 0 48 49 1 0 0 0 23 24 1 0 0 0 48 50 1 0 0 0 5 4 1 0 0 0 20 51 1 0 0 0 23 25 1 0 0 0 51 52 1 0 0 0 6 5 1 0 0 0 51 53 1 0 0 0 23 26 1 0 0 0 51 54 1 0 0 0 5 7 1 6 0 0 48 55 1 0 0 0 M END