|
|
| RDKit 3D |
|
|
| 69 69 0 0 0 0 0 0 0 0999 V2000 |
| -8.1659 -25.1772 17.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6817 -24.7782 17.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3289 -24.3774 18.7649 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3927 -23.6552 16.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0507 -22.5415 16.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5348 -23.9565 15.1323 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2613 -22.9695 14.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1500 -23.6516 12.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1754 -22.9895 11.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9983 -23.8266 10.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6811 -23.5113 9.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4800 -24.3394 8.6111 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3612 -21.9143 14.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5469 -22.2397 13.9585 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9664 -20.6494 14.1912 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9035 -19.5302 14.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4452 -18.4004 15.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0951 -18.8473 16.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2831 -19.4153 17.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1997 -20.6895 17.5834 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2628 -18.7168 17.4788 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0031 -19.0778 12.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0945 -18.4299 12.1642 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1040 -19.4313 12.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3204 -19.1049 10.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.6306 -18.3448 10.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.4468 -18.2802 11.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.8285 -17.7666 9.3023 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.0878 -17.1128 8.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.2093 -15.7349 9.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.2090 -16.9767 7.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.2080 -16.8495 6.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -13.4487 -17.0002 7.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -13.7394 -16.7872 5.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -15.1072 -17.3728 5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -15.4302 -17.3745 3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -16.7183 -18.1375 3.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -17.0605 -18.1413 2.0681 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -17.8284 -17.2280 1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -18.0881 -17.3075 0.1864 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -18.3384 -16.2333 2.1987 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -13.6924 -15.2939 5.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -14.1175 -14.4760 6.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -13.1677 -14.9379 4.1311 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -13.0430 -13.5005 3.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.5935 -13.1678 3.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.4284 -11.7043 3.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0440 -11.4327 2.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9426 -11.5864 3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6265 -11.2515 2.9395 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6473 -11.5270 3.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2428 -11.0602 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1645 -11.6682 4.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8664 -11.2549 4.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6406 -10.2287 3.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7176 -9.6181 2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0173 -10.0325 2.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -13.9506 -13.2013 2.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -13.8080 -13.7809 1.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -14.8994 -12.2946 2.8033 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -15.8157 -11.8781 1.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -17.1971 -11.5583 2.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -17.8771 -12.7407 2.7053 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -15.2700 -10.6686 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -14.4611 -9.9113 1.5297 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -15.6292 -10.4290 -0.1555 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3499 -20.3629 9.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1231 -21.2293 9.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.5287 -21.1244 10.0374 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3 2 1 0 |
| 2 4 1 0 |
| 2 1 1 0 |
| 4 5 2 0 |
| 4 6 1 0 |
| 6 7 1 0 |
| 7 13 1 0 |
| 7 8 1 0 |
| 13 14 2 0 |
| 13 15 1 0 |
| 8 9 1 0 |
| 9 10 1 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 15 16 1 0 |
| 16 22 1 0 |
| 16 17 1 0 |
| 22 23 2 0 |
| 22 24 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 21 2 0 |
| 19 20 1 0 |
| 24 25 1 0 |
| 25 26 1 0 |
| 25 67 1 0 |
| 26 27 2 0 |
| 26 28 1 0 |
| 67 69 1 0 |
| 67 68 1 0 |
| 28 29 1 0 |
| 29 31 1 0 |
| 29 30 1 0 |
| 31 32 2 0 |
| 31 33 1 0 |
| 33 34 1 0 |
| 34 42 1 0 |
| 34 35 1 0 |
| 42 43 2 0 |
| 42 44 1 0 |
| 35 36 1 0 |
| 36 37 1 0 |
| 37 38 1 0 |
| 38 39 1 0 |
| 39 40 2 0 |
| 39 41 1 0 |
| 44 45 1 0 |
| 45 58 1 0 |
| 45 46 1 0 |
| 58 59 2 0 |
| 58 60 1 0 |
| 46 47 1 0 |
| 47 48 1 0 |
| 48 49 1 0 |
| 49 50 1 0 |
| 50 51 1 0 |
| 51 52 1 0 |
| 52 53 2 0 |
| 52 57 1 0 |
| 53 54 1 0 |
| 54 55 2 0 |
| 55 56 1 0 |
| 56 57 2 0 |
| 60 61 1 0 |
| 61 64 1 0 |
| 61 62 1 0 |
| 64 65 2 0 |
| 64 66 1 0 |
| 62 63 1 0 |
| M CHG 3 3 1 12 1 50 1 |
| M END |
| $$$$ |
|
|
