@MOLECULE 64126570 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -1.0184 2.4721 2.6649 O.3 1 noname -0.3867 2 O2 -1.9318 -1.7013 5.9067 O.3 1 noname -0.2449 3 O3 -1.8628 -0.6838 8.0682 O.3 1 noname -0.2453 4 N1 -2.1889 5.1306 2.5451 N.3 1 noname -0.3116 5 C1 -2.2758 4.2761 3.7717 C.3 1 noname 0.0342 6 C2 -2.1202 2.7285 3.5320 C.3 1 noname 0.0942 7 C3 -1.9568 1.8540 4.7569 C.2 1 noname -0.0414 8 C4 -3.5926 4.6091 4.5461 C.3 1 noname -0.0469 9 C5 -2.0350 0.4410 4.6542 C.2 1 noname -0.0058 10 C6 -1.8896 6.5782 2.7348 C.3 1 noname -0.0073 11 C7 -1.7530 2.4051 6.0571 C.2 1 noname -0.0479 12 C8 -1.9646 -0.3565 5.8109 C.2 1 noname 0.0339 13 C9 -1.8994 0.2153 7.0656 C.2 1 noname 0.0311 14 C10 -1.8481 1.6091 7.2137 C.2 1 noname -0.0148 15 C11 -2.2407 7.3821 1.4887 C.3 1 noname -0.0527 16 C12 -2.0874 -1.8931 7.3252 C.3 1 noname 0.1587 17 H1 -1.4159 4.5594 4.3817 H 1 noname 0.0492 18 H2 -3.0021 2.3912 2.9811 H 1 noname 0.0668 19 H3 -1.3806 4.7704 2.0550 H 1 noname 0.1225 20 H4 -3.7503 4.0574 5.4692 H 1 noname 0.0247 21 H5 -4.4483 4.4656 3.8863 H 1 noname 0.0247 22 H6 -3.5747 5.6751 4.7726 H 1 noname 0.0247 23 H7 -2.1509 -0.0221 3.7382 H 1 noname 0.0655 24 H8 -2.4571 6.9583 3.5843 H 1 noname 0.0425 25 H9 -0.8255 6.6942 2.9410 H 1 noname 0.0425 26 H10 -1.5809 3.4016 6.2079 H 1 noname 0.0627 27 H11 -1.8428 2.0182 8.1395 H 1 noname 0.0651 28 H12 -0.1960 2.8178 3.0707 H 1 noname 0.2109 29 H13 -2.0110 8.4341 1.6584 H 1 noname 0.0243 30 H14 -3.3035 7.2724 1.2731 H 1 noname 0.0243 31 H15 -1.6587 7.0149 0.6435 H 1 noname 0.0243 32 H16 -3.0899 -2.2666 7.5335 H 1 noname 0.0892 33 H17 -1.4192 -2.6800 7.6749 H 1 noname 0.0892 @BOND 1 1 6 1 2 1 28 1 3 2 12 1 4 2 16 1 5 3 13 1 6 3 16 1 7 4 5 1 8 4 10 1 9 4 19 1 10 5 6 1 11 5 8 1 12 5 17 1 13 6 7 1 14 6 18 1 15 7 9 2 16 7 11 1 17 8 20 1 18 8 21 1 19 8 22 1 20 9 12 1 21 9 23 1 22 10 15 1 23 10 24 1 24 10 25 1 25 11 14 2 26 11 26 1 27 12 13 2 28 13 14 1 29 14 27 1 30 15 29 1 31 15 30 1 32 15 31 1 33 16 32 1 34 16 33 1 @SUBSTRUCTURE 1 noname 1