LAVA perlmol 58 57 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -0.8504 -1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5853 -0.9971 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 -1.3662 -2.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 -1.9806 -0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3534 2.0881 0.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 0.2627 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3524 -0.9329 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2646 -2.0368 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7623 -3.0076 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9286 -1.6601 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 -1.4370 -2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -0.5941 -3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6244 -2.3378 -3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -0.0005 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -0.4293 -2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5948 -1.8719 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -0.4425 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7577 2.3090 -1.2494 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 3.7524 -1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 4.5709 -2.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 3.9490 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 5.3927 -2.7042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 1.8507 -2.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9311 5.0052 -0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 3.3065 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7038 3.7231 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 4.3614 -0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0229 4.4167 -3.6103 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8847 5.2352 -4.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 5.0810 -5.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8095 6.7777 -4.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 7.1796 -3.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 7.6118 -5.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6288 4.5843 -7.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 3.7034 -3.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7787 8.6961 -5.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 7.3703 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 7.4598 -6.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5008 8.2837 -3.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 6.8207 -2.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 6.7901 -4.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 7.0694 -3.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 4.9603 -5.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 5.5480 -5.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2883 5.3938 -6.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7013 5.8607 -6.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 6.0363 -8.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6608 5.1219 -6.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5993 6.0035 -4.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6084 6.0208 -8.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4655 7.0851 -8.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9485 5.4582 -8.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 4.3077 -7.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0246 7.3233 -6.7848 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1094 7.3847 -6.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 23 25 2 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 21 3 1 0 0 0 0 31 32 1 0 0 0 0 31 38 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 46 1 0 0 0 0 33 37 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 45 1 0 0 0 0 35 42 1 0 0 0 0 35 43 1 0 0 0 0 35 44 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 36 41 1 0 0 0 0 31 23 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 56 1 0 0 0 0 49 51 2 0 0 0 0 50 53 1 0 0 0 0 50 54 1 0 0 0 0 50 55 1 0 0 0 0 47 33 1 0 0 0 0 57 49 1 0 0 0 0 57 58 1 0 0 0 0 M END