@MOLECULE 71314792 33 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.7739 1.3353 0.3081 Cl 1 noname -0.0837 2 N1 -2.9500 -4.0730 1.9760 N.2 1 noname -0.2216 3 N2 -0.6156 -1.0070 -0.4876 N.3 1 noname -0.0087 4 N3 -1.6175 -2.5684 0.9000 N.2 1 noname -0.2092 5 N4 -1.6525 -2.7142 3.2308 N.3 1 noname -0.1007 6 N5 -0.9837 -0.5178 1.6803 N.3 1 noname -0.1250 7 C1 -3.5177 -4.7064 3.1026 C.3 1 noname 0.0478 8 C2 -4.1845 -6.0624 2.7735 C.3 1 noname -0.0428 9 C3 -4.4925 -3.7665 3.8737 C.3 1 noname -0.0428 10 C4 0.0640 0.1812 -0.5916 C.2 1 noname -0.0206 11 C5 -2.0579 -3.1179 2.0167 C.2 1 noname -0.0144 12 C6 1.4622 0.1782 -0.3957 C.2 1 noname -0.0238 13 C7 -0.6540 1.3962 -0.5219 C.2 1 noname -0.0533 14 C8 -1.0913 -1.4009 0.6869 C.2 1 noname -0.0924 15 C9 2.1238 1.3752 -0.0657 C.2 1 noname -0.0141 16 C10 0.0113 2.5876 -0.1890 C.2 1 noname -0.0524 17 C11 1.4019 2.5798 0.0373 C.2 1 noname -0.0486 18 H1 -2.6993 -4.9704 3.7830 H 1 noname 0.0546 19 H2 -4.7943 -4.2186 4.8203 H 1 noname 0.0252 20 H3 -5.3754 -3.5471 3.2715 H 1 noname 0.0252 21 H4 -4.0063 -2.8216 4.1080 H 1 noname 0.0252 22 H5 -4.4938 -6.5473 3.7023 H 1 noname 0.0252 23 H6 -5.0614 -5.9382 2.1390 H 1 noname 0.0252 24 H7 -3.4707 -6.7216 2.2772 H 1 noname 0.0252 25 H8 -0.6866 -1.5938 -1.2431 H 1 noname 0.1367 26 H9 1.9736 -0.7059 -0.4173 H 1 noname 0.0655 27 H10 -1.6728 1.3989 -0.6316 H 1 noname 0.0639 28 H11 -0.5224 3.4490 -0.0716 H 1 noname 0.0623 29 H12 1.8691 3.4501 0.3049 H 1 noname 0.0638 30 H13 -1.8606 -3.2476 4.0369 H 1 noname 0.1273 31 H14 -1.2806 -1.8517 3.3844 H 1 noname 0.1273 32 H15 -1.4673 -0.6846 2.4950 H 1 noname 0.1268 33 H16 -1.2016 0.3680 1.3505 H 1 noname 0.1268 @BOND 1 1 15 1 2 2 7 1 3 2 11 2 4 3 10 1 5 3 14 1 6 3 25 1 7 4 11 1 8 4 14 2 9 5 11 1 10 5 30 1 11 5 31 1 12 6 14 1 13 6 32 1 14 6 33 1 15 7 8 1 16 7 9 1 17 7 18 1 18 8 22 1 19 8 23 1 20 8 24 1 21 9 19 1 22 9 20 1 23 9 21 1 24 10 12 2 25 10 13 1 26 12 15 1 27 12 26 1 28 13 16 2 29 13 27 1 30 15 17 2 31 16 17 1 32 16 28 1 33 17 29 1 @SUBSTRUCTURE 1 noname 1