@MOLECULE 73415978 40 41 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.7809 -0.4972 1.9154 Cl 1 noname -0.0797 2 O1 -0.5210 -1.9959 0.5158 O.3 1 noname -0.3802 3 N1 -0.3051 -2.9722 -3.5763 N.3 1 noname -0.3092 4 C1 -0.9990 -1.0245 -0.4031 C.3 1 noname 0.1174 5 C2 -1.2982 -1.6956 -1.7451 C.3 1 noname -0.0027 6 C3 -0.0192 -2.3309 -2.2940 C.3 1 noname 0.0010 7 C4 0.0157 0.0084 -0.5910 C.2 1 noname -0.0060 8 C5 -2.2195 -0.4181 0.1207 C.2 1 noname -0.0391 9 C6 0.8910 0.3191 0.4431 C.2 1 noname 0.0017 10 C7 0.1064 0.6810 -1.8040 C.2 1 noname -0.0365 11 C8 -2.1949 0.2538 1.3373 C.2 1 noname -0.0468 12 C9 -3.4060 -0.5128 -0.5972 C.2 1 noname -0.0468 13 C10 0.9170 -3.5794 -4.1008 C.3 1 noname -0.0136 14 C11 -0.7972 -1.9721 -4.5224 C.3 1 noname -0.0136 15 C12 1.8569 1.3025 0.2642 C.2 1 noname -0.0241 16 C13 1.0723 1.6644 -1.9829 C.2 1 noname -0.0547 17 C14 -3.3569 0.8310 1.8360 C.2 1 noname -0.0578 18 C15 -4.5679 0.0644 -0.0985 C.2 1 noname -0.0578 19 C16 1.9476 1.9751 -0.9488 C.2 1 noname -0.0506 20 C17 -4.5434 0.7364 1.1181 C.2 1 noname -0.0609 21 H1 -2.0557 -2.4667 -1.6048 H 1 noname 0.0316 22 H2 -1.6651 -0.9499 -2.4504 H 1 noname 0.0316 23 H3 0.3477 -3.0766 -1.5887 H 1 noname 0.0431 24 H4 0.7383 -1.5598 -2.4343 H 1 noname 0.0431 25 H5 -1.2020 -2.6892 0.6419 H 1 noname 0.2118 26 H6 -0.5359 0.4530 -2.5629 H 1 noname 0.0627 27 H7 -1.3243 0.3233 1.8641 H 1 noname 0.0626 28 H8 -3.4239 -1.0059 -1.4899 H 1 noname 0.0626 29 H9 0.7038 -4.0575 -5.0569 H 1 noname 0.0394 30 H10 1.2839 -4.3250 -3.3955 H 1 noname 0.0394 31 H11 -1.0104 -2.4502 -5.4784 H 1 noname 0.0394 32 H12 -1.7084 -1.5194 -4.1313 H 1 noname 0.0394 33 H13 -0.0397 -1.2009 -4.6626 H 1 noname 0.0394 34 H14 1.6745 -2.8083 -4.2411 H 1 noname 0.0394 35 H15 2.4992 1.5305 1.0231 H 1 noname 0.0638 36 H16 1.1389 2.1580 -2.8731 H 1 noname 0.0622 37 H17 -3.3389 1.3241 2.7287 H 1 noname 0.0622 38 H18 -5.4386 -0.0050 -0.6253 H 1 noname 0.0622 39 H19 2.6565 2.6967 -1.0801 H 1 noname 0.0623 40 H20 -5.3961 1.1600 1.4840 H 1 noname 0.0622 @BOND 1 1 9 1 2 4 2 1 3 2 25 1 4 3 6 1 5 3 13 1 6 3 14 1 7 4 5 1 8 4 7 1 9 4 8 1 10 5 6 1 11 5 21 1 12 5 22 1 13 6 23 1 14 6 24 1 15 7 9 1 16 7 10 2 17 8 11 2 18 8 12 1 19 9 15 2 20 10 16 1 21 10 26 1 22 11 17 1 23 11 27 1 24 12 18 2 25 12 28 1 26 13 29 1 27 13 30 1 28 13 34 1 29 14 31 1 30 14 32 1 31 14 33 1 32 15 19 1 33 15 35 1 34 16 19 2 35 16 36 1 36 17 20 2 37 17 37 1 38 18 20 1 39 18 38 1 40 19 39 1 41 20 40 1 @SUBSTRUCTURE 1 noname 1