@MOLECULE 71587373 60 59 1 SMALL USER_CHARGES @ATOM 1 O1 -5.3791 4.7058 0.2333 O.2 1 noname -0.2949 2 O2 -1.5542 7.3116 0.9196 O.3 1 noname -0.2147 3 O3 -1.7778 5.1688 1.4610 O.2 1 noname -0.2505 4 N1 -3.3363 4.6302 -0.7967 N.3 1 noname -0.0654 5 C1 -0.6580 -3.7831 1.0330 C.3 1 noname -0.0533 6 C2 0.6764 -4.4678 0.7336 C.3 1 noname -0.0533 7 C3 -0.5865 -2.3332 0.5423 C.3 1 noname -0.0533 8 C4 0.6086 -5.9159 1.2245 C.3 1 noname -0.0533 9 C5 -1.9232 -1.6677 0.8596 C.3 1 noname -0.0533 10 C6 1.9431 -6.6072 0.9273 C.3 1 noname -0.0533 11 C7 -1.8838 -0.2146 0.4081 C.3 1 noname -0.0533 12 C8 1.8809 -8.0590 1.4171 C.3 1 noname -0.0533 13 C9 -3.2489 0.4051 0.7828 C.3 1 noname -0.0528 14 C10 3.2170 -8.7547 1.1208 C.3 1 noname -0.0533 15 C11 -3.2236 1.8331 0.3031 C.3 1 noname -0.0450 16 C12 3.1622 -10.2101 1.6089 C.3 1 noname -0.0535 17 C13 -4.5004 2.6372 0.4550 C.3 1 noname 0.0214 18 C14 4.4977 -10.9228 1.3182 C.3 1 noname -0.0561 19 C15 -4.3804 4.0167 -0.0895 C.2 1 noname 0.0438 20 C16 4.4409 -12.3792 1.8074 C.3 1 noname -0.0654 21 C17 -2.9658 6.0036 -0.5019 C.3 1 noname 0.0915 22 C18 -2.4935 4.0199 -1.7950 C.3 1 noname -0.0052 23 C19 -2.0961 6.1125 0.6867 C.2 1 noname 0.1425 24 H1 -1.4737 -4.3040 0.5203 H 1 noname 0.0266 25 H2 -0.8552 -3.7951 2.1103 H 1 noname 0.0266 26 H3 0.8678 -4.4454 -0.3440 H 1 noname 0.0266 27 H4 1.4855 -3.9361 1.2444 H 1 noname 0.0266 28 H5 -0.3987 -2.3095 -0.5383 H 1 noname 0.0266 29 H6 0.2248 -1.8013 1.0535 H 1 noname 0.0266 30 H7 -0.2050 -6.4415 0.7140 H 1 noname 0.0266 31 H8 0.4123 -5.9323 2.3015 H 1 noname 0.0266 32 H9 -2.7341 -2.1863 0.3331 H 1 noname 0.0266 33 H10 -2.1134 -1.6965 1.9376 H 1 noname 0.0266 34 H11 2.1376 -6.5868 -0.1500 H 1 noname 0.0266 35 H12 2.7547 -6.0778 1.4370 H 1 noname 0.0266 36 H13 -1.6879 -0.2003 -0.6738 H 1 noname 0.0266 37 H14 -1.0459 0.3050 0.8920 H 1 noname 0.0266 38 H15 1.0667 -8.5845 0.9076 H 1 noname 0.0266 39 H16 1.6835 -8.0757 2.4940 H 1 noname 0.0266 40 H17 -4.0485 -0.1298 0.2646 H 1 noname 0.0267 41 H18 -3.4282 0.3464 1.8573 H 1 noname 0.0267 42 H19 3.4103 -8.7319 0.0438 H 1 noname 0.0266 43 H20 4.0271 -8.2232 1.6298 H 1 noname 0.0266 44 H21 -3.0548 1.7271 -0.7514 H 1 noname 0.0271 45 H22 -2.3745 2.3213 0.7976 H 1 noname 0.0271 46 H23 2.3441 -10.7308 1.1011 H 1 noname 0.0266 47 H24 2.9598 -10.2229 2.6846 H 1 noname 0.0266 48 H25 -5.3119 2.1148 -0.0485 H 1 noname 0.0361 49 H26 -4.7591 2.6727 1.5178 H 1 noname 0.0361 50 H27 4.6983 -10.9061 0.2428 H 1 noname 0.0264 51 H28 5.3135 -10.3986 1.8248 H 1 noname 0.0264 52 H29 5.3885 -12.8725 1.5971 H 1 noname 0.0230 53 H30 3.6385 -12.9145 1.2954 H 1 noname 0.0230 54 H31 4.2560 -12.4051 2.8834 H 1 noname 0.0230 55 H32 -3.8553 6.6142 -0.3780 H 1 noname 0.0543 56 H33 -2.4205 6.5041 -1.3114 H 1 noname 0.0543 57 H34 -2.9961 3.2368 -2.3484 H 1 noname 0.0399 58 H35 -2.1386 4.7836 -2.4871 H 1 noname 0.0399 59 H36 -1.5917 3.6502 -1.3070 H 1 noname 0.0399 60 H37 -0.9075 7.4367 1.6328 H 1 noname 0.2213 @BOND 1 1 19 2 2 2 23 1 3 2 60 1 4 3 23 2 5 4 19 1 6 4 21 1 7 4 22 1 8 5 6 1 9 5 7 1 10 5 24 1 11 5 25 1 12 6 8 1 13 6 26 1 14 6 27 1 15 7 9 1 16 7 28 1 17 7 29 1 18 8 10 1 19 8 30 1 20 8 31 1 21 9 11 1 22 9 32 1 23 9 33 1 24 10 12 1 25 10 34 1 26 10 35 1 27 11 13 1 28 11 36 1 29 11 37 1 30 12 14 1 31 12 38 1 32 12 39 1 33 13 15 1 34 13 40 1 35 13 41 1 36 14 16 1 37 14 42 1 38 14 43 1 39 15 17 1 40 15 44 1 41 15 45 1 42 16 18 1 43 16 46 1 44 16 47 1 45 17 19 1 46 17 48 1 47 17 49 1 48 18 20 1 49 18 50 1 50 18 51 1 51 20 52 1 52 20 53 1 53 20 54 1 54 21 23 1 55 21 55 1 56 21 56 1 57 22 57 1 58 22 58 1 59 22 59 1 @SUBSTRUCTURE 1 noname 1