| 6XCT_478_A_401 |
| RDKit 3D |
|
|
| 70 72 0 0 0 0 0 0 0 0999 V2000 |
| 5.0110 -1.2974 1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9723 -3.3705 1.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2298 -0.1872 1.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6309 -1.9407 1.6730 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.8752 1.5875 -0.0473 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.2965 1.6652 -1.0619 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.9361 2.7012 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7054 2.6132 -1.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8813 1.8542 -1.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2534 3.2897 -2.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5822 1.7636 -2.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9575 3.2022 -3.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1200 2.4376 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4655 0.7046 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5745 1.8515 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1764 2.8791 0.9106 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.4639 -1.1506 1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9446 -2.2723 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8061 -3.3000 0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1700 -3.2492 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6773 -2.1095 1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8282 -1.0733 1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4460 3.4788 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1996 4.0012 1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2529 -3.5808 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4860 0.2607 -0.0414 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2970 1.2159 0.4077 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0410 -4.2185 -0.0215 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7871 -1.3756 0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4125 0.4028 2.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8049 3.0023 -1.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0251 0.8368 2.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0628 -0.4328 1.9401 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9553 -2.3315 2.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3742 0.1534 1.7615 S 0 0 1 0 0 0 0 0 0 0 0 0 |
| 5.0691 -0.5050 2.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2998 -0.8680 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1474 -3.4684 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1871 -4.0824 1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1449 -1.9193 2.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4657 1.7635 0.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0795 1.3970 -2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6596 2.6791 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4619 3.6883 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2646 1.3356 -0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3486 3.8941 -2.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4935 1.1729 -2.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5999 3.7361 -4.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6708 2.3756 -4.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0840 -0.3032 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1093 0.6226 -1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3770 2.3674 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3039 1.0713 -0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4807 2.3870 1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8800 -2.3590 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3999 -4.1525 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7421 -2.0222 1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2398 -0.2134 2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9116 4.1942 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1798 2.6948 0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2261 4.0025 -0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8995 4.5605 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6618 4.7088 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2976 3.6100 1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0501 -3.8213 3.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8773 -4.3715 1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6853 -0.2045 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6138 -5.1259 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9174 -4.2935 0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2103 3.1756 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 4 1 0 |
| 2 4 1 0 |
| 5 6 1 0 |
| 5 7 1 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 8 10 1 0 |
| 9 11 1 0 |
| 10 12 2 0 |
| 11 13 2 0 |
| 12 13 1 0 |
| 6 14 1 0 |
| 15 16 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 17 22 1 0 |
| 21 22 2 0 |
| 16 23 1 0 |
| 16 24 1 0 |
| 2 25 1 0 |
| 3 26 1 0 |
| 5 26 1 0 |
| 14 27 1 0 |
| 15 27 1 0 |
| 20 28 1 0 |
| 3 29 1 0 |
| 4 29 1 0 |
| 3 30 2 0 |
| 6 31 1 0 |
| 1 34 1 0 |
| 25 34 1 0 |
| 17 35 1 0 |
| 35 27 1 6 |
| 32 35 2 0 |
| 33 35 2 0 |
| 1 36 1 0 |
| 1 37 1 0 |
| 2 38 1 0 |
| 2 39 1 0 |
| 4 40 1 1 |
| 5 41 1 1 |
| 6 42 1 6 |
| 7 43 1 0 |
| 7 44 1 0 |
| 9 45 1 0 |
| 10 46 1 0 |
| 11 47 1 0 |
| 12 48 1 0 |
| 13 49 1 0 |
| 14 50 1 0 |
| 14 51 1 0 |
| 15 52 1 0 |
| 15 53 1 0 |
| 16 54 1 1 |
| 18 55 1 0 |
| 19 56 1 0 |
| 21 57 1 0 |
| 22 58 1 0 |
| 23 59 1 0 |
| 23 60 1 0 |
| 23 61 1 0 |
| 24 62 1 0 |
| 24 63 1 0 |
| 24 64 1 0 |
| 25 65 1 0 |
| 25 66 1 0 |
| 26 67 1 0 |
| 28 68 1 0 |
| 28 69 1 0 |
| 31 70 1 0 |
| M END |
| $$$$ |
|
|
