@MOLECULE 50305304 64 69 1 SMALL USER_CHARGES @ATOM 1 Cl1 8.1455 2.8854 -6.1149 Cl 1 noname -0.0726 2 C1 7.1504 2.5319 -4.7993 C.2 1 noname 0.0236 3 C2 6.9719 3.4445 -3.7118 C.2 1 noname 0.0297 4 C3 6.4279 1.2964 -4.6978 C.2 1 noname -0.0005 5 N1 6.1451 3.1093 -2.6421 N.2 1 noname -0.2424 6 C4 5.5361 1.0126 -3.6117 C.2 1 noname -0.0039 7 C5 5.4203 1.9491 -2.5400 C.2 1 noname 0.0069 8 C6 4.7185 -0.2192 -3.6718 C.3 1 noname 0.0250 9 N2 3.6150 -0.4183 -2.7308 N.3 1 noname -0.2988 10 C7 2.5379 0.5842 -2.9874 C.3 1 noname 0.0003 11 C8 3.1579 -1.8398 -2.6890 C.3 1 noname 0.0003 12 C9 1.6272 0.5086 -1.7551 C.3 1 noname -0.0211 13 C10 1.9917 -2.0918 -1.6850 C.3 1 noname -0.0211 14 C11 0.9732 -0.9066 -1.7921 C.3 1 noname -0.0326 15 N3 -0.1228 -0.9427 -0.8968 N.3 1 noname 0.0174 16 C12 -0.0785 -1.3073 0.3809 C.2 1 noname 0.1234 17 C13 -1.4032 -0.6186 -1.2033 C.2 1 noname -0.0425 18 N4 0.9782 -1.7213 1.1362 N.2 1 noname -0.2449 19 C14 -1.3642 -1.2221 0.8797 C.2 1 noname 0.0092 20 N5 -2.1724 -0.7798 -0.1046 N.2 1 noname -0.2218 21 C15 0.7944 -2.1213 2.4197 C.2 1 noname 0.0678 22 C16 -1.5589 -1.5721 2.2213 C.2 1 noname 0.0742 23 N6 -0.4768 -2.0347 2.9122 N.2 1 noname -0.2563 24 C17 1.8636 -2.5948 3.2357 C.2 1 noname -0.0099 25 N7 -2.6903 -1.3962 2.9226 N.3 1 noname -0.0797 26 C18 1.6119 -2.9189 4.6184 C.2 1 noname 0.0063 27 C19 3.1914 -2.7528 2.6946 C.2 1 noname -0.0332 28 C20 -3.6959 -2.4365 2.9633 C.3 1 noname 0.0282 29 C21 -2.7167 -0.2310 3.7748 C.3 1 noname 0.0282 30 C22 2.6611 -3.4002 5.4554 C.2 1 noname 0.0106 31 C23 4.2546 -3.2343 3.5190 C.2 1 noname -0.0397 32 C24 -4.2640 -2.6095 4.4134 C.3 1 noname 0.0599 33 C25 -2.7410 -0.7636 5.2426 C.3 1 noname 0.0599 34 O1 2.4325 -3.7061 6.7502 O.3 1 noname -0.2851 35 C26 3.9615 -3.5491 4.8827 C.2 1 noname -0.0156 36 O2 -3.4230 -2.0391 5.4720 O.3 1 noname -0.3786 37 H1 7.4743 4.4117 -3.6980 H 1 noname 0.0855 38 H2 6.5616 0.5445 -5.4756 H 1 noname 0.0642 39 H3 4.7931 1.7821 -1.6643 H 1 noname 0.0842 40 H4 4.2339 -0.1814 -4.6475 H 1 noname 0.0481 41 H5 5.4155 -1.0246 -3.4403 H 1 noname 0.0481 42 H6 3.0071 1.5679 -3.0031 H 1 noname 0.0431 43 H7 1.9705 0.2372 -3.8509 H 1 noname 0.0431 44 H8 2.7623 -2.0396 -3.6849 H 1 noname 0.0431 45 H9 4.0156 -2.4024 -2.3203 H 1 noname 0.0431 46 H10 2.2689 0.5559 -0.8753 H 1 noname 0.0299 47 H11 0.8354 1.2449 -1.8924 H 1 noname 0.0299 48 H12 1.4731 -2.9896 -2.0212 H 1 noname 0.0299 49 H13 2.4219 -2.0534 -0.6842 H 1 noname 0.0299 50 H14 0.4513 -1.0819 -2.7328 H 1 noname 0.0511 51 H15 -1.7577 -0.2822 -2.1776 H 1 noname 0.1016 52 H16 0.6130 -2.7981 5.0375 H 1 noname 0.0657 53 H17 3.3933 -2.5059 1.6523 H 1 noname 0.0630 54 H18 -4.5043 -2.0731 2.3287 H 1 noname 0.0459 55 H19 -3.1662 -3.3521 2.7003 H 1 noname 0.0459 56 H20 -1.7737 0.2893 3.6074 H 1 noname 0.0459 57 H21 -3.6612 0.2735 3.5705 H 1 noname 0.0459 58 H22 5.2609 -3.3580 3.1188 H 1 noname 0.0623 59 H23 -5.1884 -2.0340 4.4629 H 1 noname 0.0580 60 H24 -4.2758 -3.6788 4.6242 H 1 noname 0.0580 61 H25 -1.7055 -0.9690 5.5141 H 1 noname 0.0580 62 H26 -3.3246 -0.0479 5.8216 H 1 noname 0.0580 63 H27 2.4140 -4.6601 6.8552 H 1 noname 0.2181 64 H28 4.7676 -3.9201 5.5157 H 1 noname 0.0650 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 8 1 8 6 7 1 9 8 9 1 10 9 10 1 11 9 11 1 12 10 12 1 13 11 13 1 14 12 14 1 15 13 14 1 16 14 15 1 17 15 16 1 18 15 17 1 19 16 18 2 20 16 19 1 21 17 20 2 22 18 21 1 23 19 22 2 24 19 20 1 25 21 23 2 26 21 24 1 27 22 25 1 28 22 23 1 29 24 26 2 30 24 27 1 31 25 28 1 32 25 29 1 33 26 30 1 34 27 31 2 35 28 32 1 36 29 33 1 37 30 34 1 38 30 35 2 39 31 35 1 40 32 36 1 41 33 36 1 42 3 37 1 43 4 38 1 44 7 39 1 45 8 40 1 46 8 41 1 47 10 42 1 48 10 43 1 49 11 44 1 50 11 45 1 51 12 46 1 52 12 47 1 53 13 48 1 54 13 49 1 55 14 50 1 56 17 51 1 57 26 52 1 58 27 53 1 59 28 54 1 60 28 55 1 61 29 56 1 62 29 57 1 63 31 58 1 64 32 59 1 65 32 60 1 66 33 61 1 67 33 62 1 68 34 63 1 69 35 64 1 @SUBSTRUCTURE 1 noname 1