@MOLECULE [2-methyl-2-(4-methyl-3-penten-1-yl)cyclopropyl]methyl trihydrogen diphosphate 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 P 2.4311 -1.2115 0.6440 P.3 1 UNL11111111 0.3520 2 P 4.0021 1.3405 -0.2173 P.3 1 UNL11111111 0.3816 3 O 0.9021 -0.8288 0.6002 O.3 1 UNL11111111 -0.1340 4 O 3.2899 0.0583 0.3283 O.3 1 UNL11111111 -0.3630 5 O 2.6202 -2.1184 -0.6579 O.3 1 UNL11111111 -0.3753 6 O 2.8220 -1.7631 1.9283 O.2 1 UNL11111111 -0.2111 7 O 4.6832 1.8960 1.1000 O.3 1 UNL11111111 -0.2465 8 O 5.2638 0.7095 -0.9688 O.3 1 UNL11111111 -0.3669 9 O 3.1877 2.2958 -0.9368 O.2 1 UNL11111111 -0.2370 10 C -2.3258 -0.6132 -0.8736 C.3 1 UNL11111111 0.0293 11 C -1.1185 -0.0744 -0.1030 C.3 1 UNL11111111 -0.2137 12 C -1.9101 -1.2461 0.4406 C.3 1 UNL11111111 -0.3341 13 C -3.5627 0.2625 -0.8895 C.3 1 UNL11111111 -0.2756 14 C -2.1251 -1.3862 -2.1512 C.3 1 UNL11111111 -0.4456 15 C 0.2881 -0.2902 -0.6107 C.3 1 UNL11111111 -0.0346 16 C -4.8451 -0.5740 -0.7332 C.3 1 UNL11111111 -0.2612 17 C -6.0259 0.3330 -0.6116 C.2 1 UNL11111111 -0.2360 18 C -6.5052 0.8113 0.5440 C.2 1 UNL11111111 0.0561 19 C -7.6976 1.7146 0.5743 C.3 1 UNL11111111 -0.4584 20 C -5.9281 0.5036 1.8858 C.3 1 UNL11111111 -0.4562 21 H -1.2243 0.8891 0.4096 H 1 UNL11111111 0.1631 22 H -2.5212 -1.1147 1.3266 H 1 UNL11111111 0.1539 23 H -1.4558 -2.2338 0.4466 H 1 UNL11111111 0.1679 24 H -3.6059 0.8452 -1.8301 H 1 UNL11111111 0.1459 25 H -3.5228 1.0194 -0.0808 H 1 UNL11111111 0.1468 26 H -3.0403 -1.9224 -2.4366 H 1 UNL11111111 0.1518 27 H -1.8631 -0.7195 -2.9826 H 1 UNL11111111 0.1486 28 H -1.3332 -2.1419 -2.0660 H 1 UNL11111111 0.1534 29 H 0.7387 0.6723 -0.9319 H 1 UNL11111111 0.1534 30 H 0.3389 -1.0081 -1.4510 H 1 UNL11111111 0.1343 31 H -4.7552 -1.2452 0.1443 H 1 UNL11111111 0.1467 32 H -4.9666 -1.2522 -1.6010 H 1 UNL11111111 0.1396 33 H -6.4824 0.6017 -1.5617 H 1 UNL11111111 0.1452 34 H -8.1418 1.8696 -0.4177 H 1 UNL11111111 0.1505 35 H -8.4879 1.3081 1.2206 H 1 UNL11111111 0.1545 36 H -7.4319 2.7062 0.9663 H 1 UNL11111111 0.1550 37 H -6.5423 -0.2413 2.4124 H 1 UNL11111111 0.1568 38 H -4.9078 0.1013 1.8280 H 1 UNL11111111 0.1557 39 H -5.8809 1.3976 2.5224 H 1 UNL11111111 0.1534 40 H 3.6150 -2.3021 -0.7923 H 1 UNL11111111 0.3190 41 H 4.9624 1.0799 1.6782 H 1 UNL11111111 0.3226 42 H 4.9801 0.4287 -1.9081 H 1 UNL11111111 0.3121 @BOND 1 1 3 1 2 1 4 1 3 1 5 1 4 1 6 2 5 2 4 1 6 2 7 1 7 2 8 1 8 2 9 2 9 3 15 1 10 5 40 1 11 7 41 1 12 8 42 1 13 10 11 1 14 10 12 1 15 10 13 1 16 10 14 1 17 11 12 1 18 11 15 1 19 11 21 1 20 12 22 1 21 12 23 1 22 13 16 1 23 13 24 1 24 13 25 1 25 14 26 1 26 14 27 1 27 14 28 1 28 15 29 1 29 15 30 1 30 16 17 1 31 16 31 1 32 16 32 1 33 17 18 2 34 17 33 1 35 18 19 1 36 18 20 1 37 19 34 1 38 19 35 1 39 19 36 1 40 20 37 1 41 20 38 1 42 20 39 1