@MOLECULE 76959209 44 44 1 SMALL USER_CHARGES @ATOM 1 Cl1 7.9497 1.4768 3.2396 Cl 1 noname -0.1252 2 Cl2 2.5475 6.7697 1.9619 Cl 1 noname -0.1252 3 Cl3 -1.2432 -8.2606 4.8563 Cl 1 noname -0.1241 4 O1 -0.0309 -5.0414 2.8961 O.3 1 noname -0.2062 5 O2 1.6917 -3.9385 3.8389 O.2 1 noname -0.2541 6 N1 4.6750 3.6851 3.2109 N.3 1 noname -0.1339 7 C1 1.0420 -0.3406 1.8951 C.3 1 noname -0.0274 8 C2 1.9926 0.7128 2.2394 C.2 1 noname -0.0849 9 C3 3.8026 2.7184 2.8949 C.2 1 noname -0.0338 10 C4 1.3858 -1.6121 2.6735 C.3 1 noname -0.0399 11 C5 4.3582 4.8570 2.4936 C.3 1 noname 0.0167 12 C6 5.9799 3.2681 2.8772 C.3 1 noname 0.0167 13 C7 3.1639 0.8589 1.5054 C.2 1 noname -0.0600 14 C8 1.7262 1.5694 3.3011 C.2 1 noname -0.0600 15 C9 4.0689 1.8617 1.8332 C.2 1 noname -0.0662 16 C10 2.6312 2.5722 3.6289 C.2 1 noname -0.0662 17 C11 0.3896 -2.7159 2.3127 C.3 1 noname 0.0340 18 C12 2.9423 5.3095 2.8558 C.3 1 noname 0.0355 19 C13 6.3237 1.9965 3.6555 C.3 1 noname 0.0355 20 C14 0.7177 -3.9293 3.0554 C.2 1 noname 0.1402 21 C15 -0.1745 -5.9603 3.9691 C.3 1 noname 0.0699 22 C16 -1.0655 -7.1235 3.5286 C.3 1 noname 0.0465 23 H1 0.0333 -0.0182 2.1531 H 1 noname 0.0316 24 H2 1.0962 -0.5435 0.8255 H 1 noname 0.0316 25 H3 1.3316 -1.4092 3.7430 H 1 noname 0.0275 26 H4 2.3945 -1.9345 2.4154 H 1 noname 0.0275 27 H5 6.0341 3.0652 1.8076 H 1 noname 0.0447 28 H6 6.6896 4.0545 3.1342 H 1 noname 0.0447 29 H7 4.4124 4.6541 1.4240 H 1 noname 0.0447 30 H8 5.0679 5.6433 2.7506 H 1 noname 0.0447 31 H9 3.3594 0.2303 0.7263 H 1 noname 0.0626 32 H10 0.8667 1.4622 3.8397 H 1 noname 0.0626 33 H11 4.9285 1.9690 1.2946 H 1 noname 0.0639 34 H12 2.4358 3.2009 4.4080 H 1 noname 0.0639 35 H13 -0.6191 -2.3935 2.5707 H 1 noname 0.0372 36 H14 0.4438 -2.9188 1.2431 H 1 noname 0.0372 37 H15 2.2326 4.5231 2.5987 H 1 noname 0.0448 38 H16 2.8881 5.5124 3.9254 H 1 noname 0.0448 39 H17 5.6140 1.2101 3.3985 H 1 noname 0.0448 40 H18 6.2695 2.1994 4.7251 H 1 noname 0.0448 41 H19 -0.6304 -5.4558 4.8210 H 1 noname 0.0585 42 H20 0.8059 -6.3415 4.2547 H 1 noname 0.0585 43 H21 -2.0459 -6.7423 3.2430 H 1 noname 0.0459 44 H22 -0.6096 -7.6281 2.6768 H 1 noname 0.0459 @BOND 1 1 19 1 2 2 18 1 3 3 22 1 4 4 20 1 5 4 21 1 6 5 20 2 7 6 9 1 8 6 11 1 9 6 12 1 10 7 8 1 11 7 10 1 12 7 23 1 13 7 24 1 14 8 13 2 15 8 14 1 16 9 15 2 17 9 16 1 18 10 17 1 19 10 25 1 20 10 26 1 21 11 18 1 22 11 29 1 23 11 30 1 24 12 19 1 25 12 27 1 26 12 28 1 27 13 15 1 28 13 31 1 29 14 16 2 30 14 32 1 31 15 33 1 32 16 34 1 33 17 20 1 34 17 35 1 35 17 36 1 36 18 37 1 37 18 38 1 38 19 39 1 39 19 40 1 40 21 22 1 41 21 41 1 42 21 42 1 43 22 43 1 44 22 44 1 @SUBSTRUCTURE 1 noname 1