@MOLECULE 2'-o-ethyladenosine 5'-(dihydrogen phosphate) 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.6925 -0.5307 -0.5352 C.3 1 UNL1 0.2697 2 C 0.5375 -1.6688 0.5200 C.3 1 UNL1 0.0064 3 C -0.9933 -1.9124 0.5999 C.3 1 UNL1 0.0431 4 C -1.6167 -0.7909 -0.2587 C.3 1 UNL1 0.0298 5 C 1.2750 1.6050 0.7982 C.ar 1 UNL1 0.1386 6 C 4.9740 0.2471 -1.2790 C.ar 1 UNL1 0.2976 7 C -2.5999 0.0976 0.5237 C.3 1 UNL1 -0.0253 8 C 1.7424 -3.6658 0.9195 C.3 1 UNL1 -0.0217 9 C 2.7034 -4.5224 0.1070 C.3 1 UNL1 -0.4543 10 H -2.1986 -3.2479 -0.2009 H 1 UNL1 0.3138 11 H 6.3848 3.2724 0.6707 H 1 UNL1 0.3232 12 H 4.8903 3.7283 1.4069 H 1 UNL1 0.3263 13 C 4.7848 2.0816 0.1800 C.ar 1 UNL1 0.4665 14 O -6.0800 -0.0687 0.3244 O.2 1 UNL1 -0.2407 15 O -1.2629 -3.1915 0.0805 O.3 1 UNL1 -0.5081 16 O -5.2988 1.7025 -1.4426 O.3 1 UNL1 -0.3518 17 O -4.8605 2.0533 0.9798 O.3 1 UNL1 -0.3138 18 O 1.2483 -2.7313 -0.0432 O.3 1 UNL1 -0.3404 19 O -3.6507 0.2599 -0.4441 O.3 1 UNL1 -0.3282 20 H -5.5626 1.0358 -2.1761 H 1 UNL1 0.3266 21 H -4.3977 2.8505 0.5273 H 1 UNL1 0.3146 22 O -0.5720 0.0751 -0.7072 O.3 1 UNL1 -0.4108 23 N 5.4068 3.1064 0.8188 N.pl3 1 UNL1 -0.5567 24 N 2.3520 2.3513 1.0468 N.ar 1 UNL1 -0.3447 25 N 3.6871 -0.1447 -1.1970 N.ar 1 UNL1 -0.4961 26 N 5.5456 1.2971 -0.6400 N.ar 1 UNL1 -0.5750 27 P -5.0772 0.8932 -0.0830 P.3 1 UNL1 0.3594 28 C 2.9249 0.6336 -0.3881 C.ar 1 UNL1 0.2897 29 C 3.4047 1.7806 0.3345 C.ar 1 UNL1 -0.1995 30 N 1.5798 0.5236 -0.0683 N.ar 1 UNL1 -0.3654 31 H 1.0502 -0.9193 -1.5288 H 1 UNL1 0.1957 32 H 0.9435 -1.3831 1.5129 H 1 UNL1 0.1395 33 H -1.3527 -1.9080 1.6512 H 1 UNL1 0.1318 34 H -2.0852 -1.1920 -1.1899 H 1 UNL1 0.1742 35 H 0.2775 1.7749 1.1658 H 1 UNL1 0.1994 36 H -2.9341 -0.3890 1.4611 H 1 UNL1 0.1329 37 H -2.1343 1.0771 0.7603 H 1 UNL1 0.1421 38 H 5.6392 -0.3484 -1.9285 H 1 UNL1 0.2011 39 H 0.8849 -4.2359 1.3176 H 1 UNL1 0.1268 40 H 2.2592 -3.1323 1.7366 H 1 UNL1 0.1111 41 H 3.2457 -5.2282 0.7419 H 1 UNL1 0.1455 42 H 2.1701 -5.0877 -0.6675 H 1 UNL1 0.1573 43 H 3.4384 -3.8894 -0.4141 H 1 UNL1 0.1700 @BOND 1 20 16 1 2 38 6 1 3 31 1 1 4 16 27 1 5 6 25 ar 6 6 26 ar 7 25 28 ar 8 34 4 1 9 22 1 1 10 22 4 1 11 42 9 1 12 26 13 ar 13 1 30 1 14 1 2 1 15 19 27 1 16 19 7 1 17 43 9 1 18 28 30 ar 19 28 29 ar 20 4 7 1 21 4 3 1 22 10 15 1 23 27 14 2 24 27 17 1 25 30 5 ar 26 18 2 1 27 18 8 1 28 15 3 1 29 9 41 1 30 9 8 1 31 13 29 ar 32 13 23 1 33 29 24 ar 34 2 3 1 35 2 32 1 36 7 37 1 37 7 36 1 38 21 17 1 39 3 33 1 40 11 23 1 41 5 24 ar 42 5 35 1 43 23 12 1 44 8 39 1 45 8 40 1