@MOLECULE 1-deoxy-1-(6-methyl-2,4,7-trioxo-1,3,4,7-tetrahydro-8(2h)-pteridinyl)-d-ribitol 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6960 1.7028 0.7042 O.3 1 UNL111111111 -0.5552 2 O 2.9253 -0.7702 -1.5450 O.3 1 UNL111111111 -0.5789 3 O 5.3447 -0.0198 -0.3876 O.3 1 UNL111111111 -0.5786 4 O 4.9496 -1.0579 2.1566 O.3 1 UNL111111111 -0.5295 5 O -0.5201 3.0928 -0.5877 O.2 1 UNL111111111 -0.4885 6 O -4.7319 -1.2749 1.0019 O.2 1 UNL111111111 -0.3972 7 O -1.3192 -3.7846 -0.6431 O.2 1 UNL111111111 -0.4654 8 N -0.7637 0.8444 -0.6823 N.ar 1 UNL111111111 -0.4393 9 N -1.0227 -1.5374 -0.6230 N.ar 1 UNL111111111 -0.5642 10 N -3.2962 1.1310 0.5126 N.ar 1 UNL111111111 -0.1870 11 N -3.0567 -2.5220 0.1743 N.ar 1 UNL111111111 -0.6364 12 C 1.6380 0.5856 -0.1375 C.3 1 UNL111111111 0.1110 13 C 3.0369 0.4045 -0.7676 C.3 1 UNL111111111 0.0546 14 C 0.5863 0.7371 -1.2553 C.3 1 UNL111111111 -0.1561 15 C 4.1319 0.2454 0.3042 C.3 1 UNL111111111 0.0524 16 C -1.5144 -0.2725 -0.3670 C.ar 1 UNL111111111 0.4247 17 C 3.9370 -1.0047 1.1791 C.3 1 UNL111111111 -0.0156 18 C -1.2430 2.1549 -0.3445 C.ar 1 UNL111111111 0.5445 19 C -2.7849 -0.1046 0.2119 C.ar 1 UNL111111111 -0.2502 20 C -2.5928 2.1938 0.2609 C.ar 1 UNL111111111 0.0372 21 C -3.6340 -1.2534 0.5164 C.ar 1 UNL111111111 0.6291 22 C -1.7982 -2.7090 -0.3710 C.ar 1 UNL111111111 0.7124 23 C -3.1143 3.5435 0.5968 C.3 1 UNL111111111 -0.4200 24 H 1.3904 -0.2560 0.5511 H 1 UNL111111111 0.1574 25 H 3.2841 1.2398 -1.4593 H 1 UNL111111111 0.1350 26 H 0.7894 1.6580 -1.8621 H 1 UNL111111111 0.1901 27 H 0.6613 -0.1025 -1.9873 H 1 UNL111111111 0.1811 28 H 4.2346 1.1608 0.9282 H 1 UNL111111111 0.1577 29 H 3.0046 -0.9549 1.7730 H 1 UNL111111111 0.1532 30 H 3.9574 -1.9330 0.5798 H 1 UNL111111111 0.1333 31 H 1.3162 2.5087 0.2803 H 1 UNL111111111 0.3493 32 H 3.8234 -1.1614 -1.6807 H 1 UNL111111111 0.3533 33 H -0.0801 -1.6776 -0.9992 H 1 UNL111111111 0.3552 34 H 5.7599 0.8038 -0.7076 H 1 UNL111111111 0.3265 35 H -4.1284 3.4909 1.0326 H 1 UNL111111111 0.1854 36 H -3.1672 4.1906 -0.2932 H 1 UNL111111111 0.1711 37 H -2.4664 4.0522 1.3289 H 1 UNL111111111 0.1720 38 H -3.6178 -3.3610 0.3566 H 1 UNL111111111 0.3521 39 H 5.8302 -1.0450 1.7195 H 1 UNL111111111 0.3236 @BOND 1 1 12 1 2 1 31 1 3 2 13 1 4 2 32 1 5 3 15 1 6 3 34 1 7 4 17 1 8 4 39 1 9 5 18 2 10 6 21 2 11 7 22 2 12 8 14 1 13 8 16 ar 14 8 18 ar 15 9 16 ar 16 9 22 ar 17 9 33 1 18 10 19 ar 19 10 20 ar 20 11 21 ar 21 11 22 ar 22 11 38 1 23 12 13 1 24 12 14 1 25 12 24 1 26 13 15 1 27 13 25 1 28 14 26 1 29 14 27 1 30 15 17 1 31 15 28 1 32 16 19 ar 33 17 29 1 34 17 30 1 35 18 20 ar 36 19 21 ar 37 20 23 1 38 23 35 1 39 23 36 1 40 23 37 1