@MOLECULE nordihydroguaiaretic acid 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.2635 1.3062 -0.1393 O.3 1 UNL1111111111 -0.4508 2 O 6.3778 1.1877 0.1446 O.3 1 UNL1111111111 -0.4919 3 O -6.7466 -1.3482 -0.5238 O.3 1 UNL1111111111 -0.4920 4 O 6.6901 -1.5002 0.4934 O.3 1 UNL1111111111 -0.4507 5 C -0.7500 0.6002 -0.1995 C.3 1 UNL1111111111 -0.0846 6 C 0.7412 0.5973 0.2129 C.3 1 UNL1111111111 -0.0852 7 C -1.6438 0.4553 1.0555 C.3 1 UNL1111111111 -0.3011 8 C 1.6399 0.4951 -1.0426 C.3 1 UNL1111111111 -0.3009 9 C -1.1440 1.8477 -0.9933 C.3 1 UNL1111111111 -0.4512 10 C 1.1290 1.8217 1.0448 C.3 1 UNL1111111111 -0.4507 11 C -2.9992 -0.0455 0.6635 C.ar 1 UNL1111111111 0.0333 12 C 2.9964 -0.0119 -0.6617 C.ar 1 UNL1111111111 0.0266 13 C -4.0416 0.8632 0.4572 C.ar 1 UNL1111111111 -0.2342 14 C 4.0471 0.8901 -0.4614 C.ar 1 UNL1111111111 -0.2664 15 C -3.2097 -1.4138 0.4847 C.ar 1 UNL1111111111 -0.1906 16 C 3.2043 -1.3811 -0.4852 C.ar 1 UNL1111111111 -0.1834 17 C -5.2864 0.3865 0.0600 C.ar 1 UNL1111111111 0.2189 18 C 5.2866 0.3994 -0.0762 C.ar 1 UNL1111111111 0.1523 19 C -4.4588 -1.8978 0.0915 C.ar 1 UNL1111111111 -0.2140 20 C 4.4503 -1.8737 -0.0993 C.ar 1 UNL1111111111 -0.1812 21 C -5.4901 -0.9947 -0.1220 C.ar 1 UNL1111111111 0.1171 22 C 5.4961 -0.9794 0.1104 C.ar 1 UNL1111111111 0.1838 23 H -0.9227 -0.2962 -0.8480 H 1 UNL1111111111 0.1363 24 H 0.9174 -0.3174 0.8343 H 1 UNL1111111111 0.1370 25 H -1.1727 -0.2370 1.7820 H 1 UNL1111111111 0.1502 26 H -1.7126 1.4258 1.5850 H 1 UNL1111111111 0.1538 27 H 1.1746 -0.1785 -1.7905 H 1 UNL1111111111 0.1513 28 H 1.7038 1.4804 -1.5440 H 1 UNL1111111111 0.1508 29 H -0.5359 1.9582 -1.8971 H 1 UNL1111111111 0.1415 30 H -1.0291 2.7616 -0.4012 H 1 UNL1111111111 0.1450 31 H -2.1939 1.7934 -1.3099 H 1 UNL1111111111 0.1528 32 H 1.0139 2.7525 0.4802 H 1 UNL1111111111 0.1442 33 H 0.5153 1.9042 1.9477 H 1 UNL1111111111 0.1431 34 H 2.1761 1.7578 1.3662 H 1 UNL1111111111 0.1474 35 H -3.8960 1.9323 0.5985 H 1 UNL1111111111 0.1789 36 H 3.8909 1.9549 -0.6035 H 1 UNL1111111111 0.1626 37 H -2.3933 -2.1133 0.6496 H 1 UNL1111111111 0.1577 38 H 2.3831 -2.0770 -0.6461 H 1 UNL1111111111 0.1583 39 H -4.6149 -2.9638 -0.0459 H 1 UNL1111111111 0.1576 40 H 4.6179 -2.9393 0.0420 H 1 UNL1111111111 0.1740 41 H -7.1143 0.8663 -0.4016 H 1 UNL1111111111 0.3414 42 H 6.1583 2.1458 0.0594 H 1 UNL1111111111 0.3374 43 H -6.8557 -2.3280 -0.5499 H 1 UNL1111111111 0.3361 44 H 7.3622 -0.7801 0.6242 H 1 UNL1111111111 0.3395 @BOND 1 1 17 1 2 1 41 1 3 2 18 1 4 2 42 1 5 3 21 1 6 3 43 1 7 4 22 1 8 4 44 1 9 5 6 1 10 5 7 1 11 5 9 1 12 5 23 1 13 6 8 1 14 6 10 1 15 6 24 1 16 7 11 1 17 7 25 1 18 7 26 1 19 8 12 1 20 8 27 1 21 8 28 1 22 9 29 1 23 9 30 1 24 9 31 1 25 10 32 1 26 10 33 1 27 10 34 1 28 11 13 ar 29 11 15 ar 30 12 14 ar 31 12 16 ar 32 13 17 ar 33 13 35 1 34 14 18 ar 35 14 36 1 36 15 19 ar 37 15 37 1 38 16 20 ar 39 16 38 1 40 17 21 ar 41 18 22 ar 42 19 21 ar 43 19 39 1 44 20 22 ar 45 20 40 1