@MOLECULE 72710771 31 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.8315 4.3704 -1.0733 Cl 1 noname -0.0842 2 S1 0.8887 -4.0335 -0.0749 S 1 noname -0.0648 3 O1 0.0300 -3.6436 -1.4773 O.3 1 noname -0.1417 4 O2 -0.0221 -4.9282 0.8727 O.2 1 noname -0.1624 5 O3 2.2017 -4.8412 -0.4647 O.2 1 noname -0.1624 6 N1 1.3307 -2.5788 0.7546 N.3 1 noname 0.0408 7 C1 2.6917 -0.4125 0.4025 C.3 1 noname -0.0044 8 C2 2.3901 -1.8677 -0.0186 C.3 1 noname 0.0250 9 C3 1.6122 0.5418 0.0562 C.2 1 noname -0.0373 10 C4 0.1058 -1.9041 1.2587 C.3 1 noname 0.0224 11 C5 -0.6026 -0.9331 0.2829 C.3 1 noname -0.0133 12 C6 0.1702 0.2932 -0.0237 C.2 1 noname -0.0442 13 C7 2.9537 -0.3614 1.9090 C.3 1 noname -0.0571 14 C8 2.1374 1.8336 -0.2569 C.2 1 noname -0.0197 15 C9 -0.7056 1.3299 -0.4713 C.2 1 noname -0.0444 16 C10 1.2331 2.8416 -0.6851 C.2 1 noname -0.0106 17 C11 -0.1563 2.5977 -0.7948 C.2 1 noname -0.0252 18 H1 3.5973 -0.0428 -0.0785 H 1 noname 0.0363 19 H2 2.1454 -1.8954 -1.0804 H 1 noname 0.0452 20 H3 3.2867 -2.4786 0.0859 H 1 noname 0.0452 21 H4 -0.6053 -2.6539 1.6054 H 1 noname 0.0449 22 H5 0.4484 -1.2531 2.0630 H 1 noname 0.0449 23 H6 -1.5763 -0.6572 0.6878 H 1 noname 0.0329 24 H7 -0.8750 -1.4370 -0.6445 H 1 noname 0.0329 25 H8 3.1665 0.6655 2.2061 H 1 noname 0.0237 26 H9 2.0736 -0.7192 2.4432 H 1 noname 0.0237 27 H10 3.8077 -0.9940 2.1509 H 1 noname 0.0237 28 H11 3.1356 2.0266 -0.1750 H 1 noname 0.0641 29 H12 -1.7080 1.1615 -0.5567 H 1 noname 0.0626 30 H13 -0.7734 3.3455 -1.1117 H 1 noname 0.0638 31 H14 -0.2589 -4.4672 -1.9231 H 1 noname 0.2398 @BOND 1 1 16 1 2 2 3 1 3 2 4 2 4 2 5 2 5 2 6 1 6 3 31 1 7 6 8 1 8 6 10 1 9 7 8 1 10 7 9 1 11 7 13 1 12 7 18 1 13 8 19 1 14 8 20 1 15 9 12 2 16 9 14 1 17 10 11 1 18 10 21 1 19 10 22 1 20 11 12 1 21 11 23 1 22 11 24 1 23 12 15 1 24 13 25 1 25 13 26 1 26 13 27 1 27 14 16 2 28 14 28 1 29 15 17 2 30 15 29 1 31 16 17 1 32 17 30 1 @SUBSTRUCTURE 1 noname 1