@MOLECULE sch-50911 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.2968 -0.1916 -1.1563 O.3 1 UNL11111111 -0.4018 2 O 4.0503 0.6645 -0.0794 O.3 1 UNL11111111 -0.5649 3 O 3.0637 -1.2746 0.3995 O.2 1 UNL11111111 -0.5048 4 N -1.6889 0.1650 1.3030 N.3 1 UNL11111111 -0.5529 5 C -2.4284 -0.0466 0.0333 C.3 1 UNL11111111 0.2159 6 C 0.4566 -0.0985 0.0480 C.3 1 UNL11111111 0.0788 7 C -1.5506 -0.8220 -0.9874 C.3 1 UNL11111111 -0.1044 8 C -0.3441 0.7240 1.0803 C.3 1 UNL11111111 -0.1570 9 C -2.8240 1.3153 -0.5549 C.3 1 UNL11111111 -0.4617 10 C -3.6869 -0.8743 0.3409 C.3 1 UNL11111111 -0.4835 11 C 1.7394 0.6133 -0.3974 C.3 1 UNL11111111 -0.3853 12 C 2.9570 -0.1386 0.0208 C.2 1 UNL11111111 0.6512 13 H 0.6565 -1.1309 0.4171 H 1 UNL11111111 0.1473 14 H -1.3975 -1.8723 -0.6902 H 1 UNL11111111 0.1233 15 H -1.9735 -0.7878 -2.0064 H 1 UNL11111111 0.1490 16 H 0.1912 0.7714 2.0513 H 1 UNL11111111 0.1468 17 H -0.4641 1.7736 0.7290 H 1 UNL11111111 0.1578 18 H -1.6411 -0.6948 1.8477 H 1 UNL11111111 0.2582 19 H -3.2440 1.9661 0.2227 H 1 UNL11111111 0.1611 20 H -1.9554 1.8301 -0.9838 H 1 UNL11111111 0.1577 21 H -3.5704 1.2092 -1.3468 H 1 UNL11111111 0.1432 22 H -4.2896 -1.0301 -0.5596 H 1 UNL11111111 0.1535 23 H -3.4481 -1.8574 0.7580 H 1 UNL11111111 0.1464 24 H -4.3182 -0.3528 1.0737 H 1 UNL11111111 0.1669 25 H 1.7345 0.7118 -1.5147 H 1 UNL11111111 0.2121 26 H 1.7792 1.6638 -0.0377 H 1 UNL11111111 0.1906 27 H 4.8952 0.2165 0.1688 H 1 UNL11111111 0.3565 @BOND 1 15 7 1 2 25 11 1 3 21 9 1 4 1 7 1 5 1 6 1 6 7 14 1 7 7 5 1 8 20 9 1 9 22 10 1 10 9 5 1 11 9 19 1 12 11 26 1 13 11 12 1 14 11 6 1 15 2 12 1 16 2 27 1 17 12 3 2 18 5 10 1 19 5 4 1 20 6 13 1 21 6 8 1 22 10 23 1 23 10 24 1 24 17 8 1 25 8 4 1 26 8 16 1 27 4 18 1