@MOLECULE 71811909 63 63 1 SMALL USER_CHARGES @ATOM 1 P1 0.9227 -5.1904 -4.0756 P 1 noname -0.0513 2 O1 -0.5353 -5.2783 -3.4286 O.3 1 noname -0.1750 3 O2 -5.3902 -4.2664 -4.1065 O.3 1 noname -0.3831 4 O3 0.8335 -6.0433 -5.4137 O.3 1 noname -0.1343 5 O4 -4.7051 -2.4021 -5.9606 O.2 1 noname -0.2866 6 O5 1.8556 -5.8290 -3.1304 O.2 1 noname -0.2259 7 O6 0.6963 -0.8054 -4.9933 O.3 1 noname -0.2045 8 O7 2.4298 -0.4424 -3.5668 O.2 1 noname -0.2479 9 O8 -2.0426 1.5665 -1.7470 O.3 1 noname -0.2092 10 O9 -2.7164 2.0332 -3.9019 O.2 1 noname -0.2541 11 N1 -2.8835 -2.0765 -4.6331 N.3 1 noname -0.0704 12 N2 1.3713 -3.6140 -4.3630 N.3 1 noname -0.0015 13 C1 -2.9821 -4.8311 -3.6223 C.3 1 noname 0.0236 14 C2 -4.0592 -4.2464 -4.6281 C.3 1 noname 0.1345 15 C3 -1.5974 -4.9357 -4.3603 C.3 1 noname 0.0696 16 C4 -3.3805 -6.2363 -3.0932 C.3 1 noname -0.0547 17 C5 -2.9162 -4.0978 -2.2581 C.3 1 noname -0.0547 18 C6 -3.8842 -2.8497 -5.1296 C.2 1 noname 0.0521 19 C7 -2.7551 -0.6747 -4.7218 C.3 1 noname 0.0121 20 C8 1.2498 -2.5483 -3.3109 C.3 1 noname 0.1029 21 C9 -2.6227 -0.2404 -3.2496 C.3 1 noname 0.0466 22 C10 2.1438 -2.8565 -2.0792 C.3 1 noname -0.0394 23 C11 1.5104 -1.2038 -3.9561 C.2 1 noname 0.1482 24 C12 2.0162 -6.0402 -6.0597 C.2 1 noname 0.0091 25 C13 -2.4626 1.2027 -2.9964 C.2 1 noname 0.1396 26 C14 3.0352 -6.9315 -5.6660 C.2 1 noname -0.0137 27 C15 2.2424 -5.0864 -7.0702 C.2 1 noname -0.0137 28 C16 4.2978 -6.8469 -6.2610 C.2 1 noname -0.0479 29 C17 3.5056 -5.0100 -7.6723 C.2 1 noname -0.0479 30 C18 4.5279 -5.8916 -7.2697 C.2 1 noname -0.0601 31 C19 0.7709 0.4090 -5.7625 C.3 1 noname 0.0454 32 C20 -1.7940 2.9121 -1.3010 C.3 1 noname 0.0453 33 H1 -4.0588 -4.8754 -5.5172 H 1 noname 0.0704 34 H2 -1.6889 -5.7097 -5.1593 H 1 noname 0.0583 35 H3 -1.3408 -4.0209 -4.8947 H 1 noname 0.0583 36 H4 -2.6137 -6.5974 -2.4078 H 1 noname 0.0238 37 H5 -4.3341 -6.1704 -2.5694 H 1 noname 0.0238 38 H6 -3.4732 -6.9272 -3.9312 H 1 noname 0.0238 39 H7 -2.1541 -4.5622 -1.6324 H 1 noname 0.0238 40 H8 -3.8845 -4.1656 -1.7620 H 1 noname 0.0238 41 H9 -2.6639 -3.0499 -2.4207 H 1 noname 0.0238 42 H10 -5.4284 -3.7287 -3.2880 H 1 noname 0.2111 43 H11 -2.2206 -2.5329 -4.1112 H 1 noname 0.1310 44 H12 2.3128 -3.5947 -4.7602 H 1 noname 0.1387 45 H13 -3.6668 -0.2524 -5.1446 H 1 noname 0.0438 46 H14 -1.8512 -0.3513 -5.2380 H 1 noname 0.0438 47 H15 0.2268 -2.5193 -2.9289 H 1 noname 0.0578 48 H16 -3.4737 -0.6167 -2.6819 H 1 noname 0.0386 49 H17 -1.7484 -0.7123 -2.8014 H 1 noname 0.0386 50 H18 2.0294 -2.0639 -1.3397 H 1 noname 0.0252 51 H19 1.8433 -3.8083 -1.6411 H 1 noname 0.0252 52 H20 3.1864 -2.9137 -2.3922 H 1 noname 0.0252 53 H21 2.8656 -7.6040 -4.9120 H 1 noname 0.0650 54 H22 1.4990 -4.4306 -7.3317 H 1 noname 0.0650 55 H23 5.0432 -7.4605 -5.9372 H 1 noname 0.0623 56 H24 3.6797 -4.2997 -8.3806 H 1 noname 0.0623 57 H25 5.4429 -5.8357 -7.7056 H 1 noname 0.0622 58 H26 0.6531 1.2666 -5.1001 H 1 noname 0.0536 59 H27 -0.0228 0.4153 -6.5096 H 1 noname 0.0536 60 H28 1.7390 0.4648 -6.2604 H 1 noname 0.0536 61 H29 -1.4702 2.8959 -0.2603 H 1 noname 0.0536 62 H30 -2.7088 3.4985 -1.3877 H 1 noname 0.0536 63 H31 -1.0149 3.3610 -1.9170 H 1 noname 0.0536 @BOND 1 1 2 1 2 1 4 1 3 1 6 2 4 1 12 1 5 2 15 1 6 14 3 1 7 3 42 1 8 4 24 1 9 5 18 2 10 7 23 1 11 7 31 1 12 8 23 2 13 9 25 1 14 9 32 1 15 10 25 2 16 11 18 1 17 11 19 1 18 11 43 1 19 20 12 1 20 12 44 1 21 13 14 1 22 13 15 1 23 13 16 1 24 13 17 1 25 14 18 1 26 14 33 1 27 15 34 1 28 15 35 1 29 16 36 1 30 16 37 1 31 16 38 1 32 17 39 1 33 17 40 1 34 17 41 1 35 19 21 1 36 19 45 1 37 19 46 1 38 20 22 1 39 20 23 1 40 20 47 1 41 21 25 1 42 21 48 1 43 21 49 1 44 22 50 1 45 22 51 1 46 22 52 1 47 24 26 2 48 24 27 1 49 26 28 1 50 26 53 1 51 27 29 2 52 27 54 1 53 28 30 2 54 28 55 1 55 29 30 1 56 29 56 1 57 30 57 1 58 31 58 1 59 31 59 1 60 31 60 1 61 32 61 1 62 32 62 1 63 32 63 1 @SUBSTRUCTURE 1 noname 1