@MOLECULE 227484 59 64 1 SMALL USER_CHARGES @ATOM 1 F1 4.8353 -6.7337 -3.2808 F 1 noname -0.1631 2 C1 4.0414 -6.0444 -2.5145 C.2 1 noname 0.0438 3 C2 4.4011 -4.7283 -2.1175 C.2 1 noname 0.0274 4 C3 2.8133 -6.6063 -2.0732 C.2 1 noname 0.0147 5 C4 3.5469 -3.9575 -1.2698 C.2 1 noname 0.0129 6 C5 1.9571 -5.8244 -1.2514 C.2 1 noname -0.0669 7 C6 4.0545 -2.7544 -0.7830 C.2 1 noname -0.0262 8 C7 2.3051 -4.5205 -0.8566 C.2 1 noname -0.0165 9 N1 0.7607 -6.1330 -0.7308 N.3 1 noname -0.0777 10 N2 4.6692 -1.8452 -1.5613 N.2 1 noname -0.2195 11 N3 4.1556 -2.4915 0.5353 N.3 1 noname 0.0242 12 C8 1.2619 -4.0346 -0.0676 C.2 1 noname -0.0328 13 C9 0.3263 -5.0710 -0.0195 C.2 1 noname -0.1108 14 C10 5.2518 -1.0310 -0.6973 C.2 1 noname -0.0236 15 C11 4.9593 -1.4407 0.6036 C.2 1 noname 0.1136 16 C12 6.1464 0.0326 -0.9032 C.2 1 noname 0.0708 17 N4 5.5384 -0.8546 1.6740 N.2 1 noname -0.2599 18 N5 6.7219 0.5515 0.1924 N.2 1 noname -0.2681 19 N6 6.5716 0.5831 -2.0654 N.3 1 noname -0.0774 20 C13 6.4417 0.1501 1.4664 C.2 1 noname 0.0825 21 C14 7.6600 0.0276 -2.8927 C.3 1 noname 0.0366 22 C15 5.9758 1.8760 -2.3547 C.3 1 noname 0.0285 23 N7 7.1344 0.8132 2.4495 N.3 1 noname -0.0549 24 C16 8.5245 1.1510 -3.5375 C.3 1 noname 0.0625 25 C17 8.6580 -0.9576 -2.2474 C.3 1 noname -0.0469 26 C18 7.1003 2.9422 -2.5182 C.3 1 noname 0.0599 27 C19 7.9095 0.0725 3.4353 C.3 1 noname 0.0380 28 C20 7.2890 2.2508 2.3722 C.3 1 noname 0.0299 29 O1 8.4314 2.4194 -2.8261 O.3 1 noname -0.3783 30 C21 9.2985 0.7310 3.7968 C.3 1 noname 0.0625 31 C22 8.1367 -1.3560 2.9367 C.3 1 noname -0.0468 32 C23 8.7822 2.6020 2.0985 C.3 1 noname 0.0600 33 O2 9.7281 1.7749 2.8407 O.3 1 noname -0.3783 34 H1 5.3428 -4.3053 -2.4672 H 1 noname 0.0661 35 H2 2.5329 -7.6198 -2.3601 H 1 noname 0.0673 36 H3 0.2735 -7.0093 -0.8527 H 1 noname 0.1522 37 H4 3.7220 -2.9779 1.3069 H 1 noname 0.1559 38 H5 1.1928 -3.0566 0.4085 H 1 noname 0.0643 39 H6 -0.6269 -5.0531 0.5089 H 1 noname 0.0789 40 H7 7.0251 -0.5414 -3.5718 H 1 noname 0.0492 41 H8 5.4798 1.7601 -3.3184 H 1 noname 0.0459 42 H9 5.3940 2.1341 -1.4699 H 1 noname 0.0459 43 H10 9.5682 0.8528 -3.4384 H 1 noname 0.0582 44 H11 8.1071 1.3543 -4.5237 H 1 noname 0.0582 45 H12 8.5871 -0.8877 -1.1619 H 1 noname 0.0247 46 H13 8.4204 -1.9737 -2.5623 H 1 noname 0.0247 47 H14 9.6710 -0.7071 -2.5623 H 1 noname 0.0247 48 H15 6.8401 3.5396 -3.3920 H 1 noname 0.0580 49 H16 7.2205 3.4213 -1.5465 H 1 noname 0.0580 50 H17 7.2562 0.0953 4.3074 H 1 noname 0.0493 51 H18 6.7059 2.5595 1.5046 H 1 noname 0.0459 52 H19 7.0313 2.6245 3.3631 H 1 noname 0.0459 53 H20 9.1664 1.2601 4.7406 H 1 noname 0.0582 54 H21 10.0551 -0.0489 3.7106 H 1 noname 0.0582 55 H22 8.2432 -2.0260 3.7899 H 1 noname 0.0247 56 H23 7.2854 -1.6697 2.3326 H 1 noname 0.0247 57 H24 9.0433 -1.3902 2.3326 H 1 noname 0.0247 58 H25 8.9786 2.3710 1.0515 H 1 noname 0.0580 59 H26 8.9474 3.6119 2.4741 H 1 noname 0.0580 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 9 1 9 6 8 1 10 7 10 2 11 7 11 1 12 8 12 1 13 9 13 1 14 10 14 1 15 11 15 1 16 12 13 2 17 14 16 1 18 14 15 2 19 15 17 1 20 16 18 2 21 16 19 1 22 17 20 2 23 18 20 1 24 21 19 1 25 19 22 1 26 20 23 1 27 21 24 1 28 21 25 1 29 22 26 1 30 27 23 1 31 23 28 1 32 24 29 1 33 26 29 1 34 27 30 1 35 27 31 1 36 28 32 1 37 30 33 1 38 32 33 1 39 3 34 1 40 4 35 1 41 9 36 1 42 11 37 1 43 12 38 1 44 13 39 1 45 21 40 1 46 22 41 1 47 22 42 1 48 24 43 1 49 24 44 1 50 25 45 1 51 25 46 1 52 25 47 1 53 26 48 1 54 26 49 1 55 27 50 1 56 28 51 1 57 28 52 1 58 30 53 1 59 30 54 1 60 31 55 1 61 31 56 1 62 31 57 1 63 32 58 1 64 32 59 1 @SUBSTRUCTURE 1 noname 1