@MOLECULE 2-(4-methyl-3-cyclohexen-1-yl)-2-propanyl trihydrogen diphosphate 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 P -1.9753 1.0057 0.1165 P.3 1 UNL111111111 0.3334 2 P -1.7023 -2.0039 0.0791 P.3 1 UNL111111111 0.3665 3 O -0.3793 0.9909 0.0383 O.3 1 UNL111111111 -0.3735 4 O -2.2211 -0.5400 0.4414 O.3 1 UNL111111111 -0.0788 5 O -2.4615 1.3109 -1.3654 O.3 1 UNL111111111 -0.3426 6 O -2.6948 1.7786 1.1080 O.2 1 UNL111111111 -0.1795 7 O -0.2267 -2.2072 0.6208 O.3 1 UNL111111111 -0.3753 8 O -1.5353 -1.9358 -1.5108 O.3 1 UNL111111111 -0.4229 9 O -2.6482 -2.9435 0.6447 O.2 1 UNL111111111 -0.1902 10 C 1.9014 1.2677 -0.0354 C.3 1 UNL111111111 -0.1451 11 C 0.5537 2.0725 -0.0165 C.3 1 UNL111111111 0.3512 12 C 2.0645 0.4062 1.2241 C.3 1 UNL111111111 -0.2547 13 C 2.0121 0.3790 -1.2874 C.3 1 UNL111111111 -0.2720 14 C 3.4526 -0.2477 1.2428 C.3 1 UNL111111111 -0.2936 15 C 3.7787 -0.8988 -0.0658 C.2 1 UNL111111111 0.0252 16 C 0.4235 2.9088 -1.2990 C.3 1 UNL111111111 -0.5031 17 C 0.5055 2.9956 1.2089 C.3 1 UNL111111111 -0.5029 18 C 3.1350 -0.6015 -1.2007 C.2 1 UNL111111111 -0.2229 19 C 4.8834 -1.9018 -0.0191 C.3 1 UNL111111111 -0.4627 20 H 2.7265 2.0184 -0.0614 H 1 UNL111111111 0.1369 21 H 1.2785 -0.3756 1.2664 H 1 UNL111111111 0.1508 22 H 1.9207 1.0111 2.1373 H 1 UNL111111111 0.1388 23 H 2.1420 1.0161 -2.1858 H 1 UNL111111111 0.1375 24 H 1.0627 -0.1736 -1.4573 H 1 UNL111111111 0.1679 25 H 3.5045 -0.9859 2.0683 H 1 UNL111111111 0.1469 26 H 4.2275 0.5126 1.4731 H 1 UNL111111111 0.1456 27 H -0.4293 3.5992 -1.2575 H 1 UNL111111111 0.1636 28 H 1.3185 3.5170 -1.4606 H 1 UNL111111111 0.1446 29 H 0.2811 2.2807 -2.1859 H 1 UNL111111111 0.1563 30 H 0.3732 2.4307 2.1415 H 1 UNL111111111 0.1659 31 H -0.3262 3.7104 1.1566 H 1 UNL111111111 0.1632 32 H 1.4259 3.5792 1.2996 H 1 UNL111111111 0.1431 33 H 3.3891 -1.0804 -2.1426 H 1 UNL111111111 0.1399 34 H 5.7609 -1.5147 0.5164 H 1 UNL111111111 0.1538 35 H 5.2245 -2.2029 -1.0180 H 1 UNL111111111 0.1517 36 H 4.5598 -2.8166 0.4998 H 1 UNL111111111 0.1589 37 H -2.0440 0.6302 -2.0101 H 1 UNL111111111 0.3224 38 H 0.3534 -1.3783 0.3955 H 1 UNL111111111 0.3369 39 H -1.2334 -2.8397 -1.8632 H 1 UNL111111111 0.3189 @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 11 1 10 5 37 1 11 7 38 1 12 8 39 1 13 10 11 1 14 10 12 1 15 10 13 1 16 10 20 1 17 11 16 1 18 11 17 1 19 12 14 1 20 12 21 1 21 12 22 1 22 13 18 1 23 13 23 1 24 13 24 1 25 14 15 1 26 14 25 1 27 14 26 1 28 15 18 2 29 15 19 1 30 16 27 1 31 16 28 1 32 16 29 1 33 17 30 1 34 17 31 1 35 17 32 1 36 18 33 1 37 19 34 1 38 19 35 1 39 19 36 1