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-0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 -2.8504 -1.7686 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 -0.8150 -0.8314 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 0.2880 -0.3003 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9260 1.0855 0.3927 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0459 1.0714 -0.5913 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2187 2.2758 -1.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2924 0.7313 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8717 1.3223 1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0545 0.8305 1.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6312 -0.2603 1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -0.9170 1.7257 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 -0.8534 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8515 -0.3483 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 -0.7187 -1.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -0.0751 -1.5048 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2480 1.0266 -1.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 0.2677 -2.4431 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 2.3676 -1.5652 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0733 3.2467 -0.8344 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8043 4.5078 -0.3627 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3475 5.2944 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1828 5.3922 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 2.6454 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0743 2.1696 1.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 2.5522 0.2856 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7593 2.6814 1.5533 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.4896 3.9256 1.5258 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3090 4.0702 0.2738 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4021 2.7699 -0.4999 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9846 2.3479 -0.8374 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8633 1.0967 -1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 1.0437 -2.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5787 -0.1254 -1.3976 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1617 -0.5877 -2.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8836 -1.6047 -2.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3939 -3.9825 0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6864 -3.0186 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4256 -4.7998 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8699 -2.6579 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4493 -0.2451 0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 -3.9216 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2529 -2.3209 2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 -3.4147 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 -3.8591 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 -2.3712 -2.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 -1.2588 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 -2.6329 -2.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 -5.6885 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -5.0251 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3762 -5.4675 2.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 -3.3720 3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 -3.0298 3.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7124 -1.5674 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -1.8387 1.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 -3.5423 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1388 -0.0883 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 2.1047 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2172 0.5870 1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 2.9254 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 2.1920 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5351 1.2888 2.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4633 -1.7089 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3159 -1.3990 -2.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4868 0.2128 -2.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4219 2.8898 -2.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 3.7078 -1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 4.2213 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 6.3898 -1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8786 4.9806 -2.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4486 5.1544 -1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1361 5.3587 -0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 4.9774 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1679 6.4330 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 2.6841 2.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 4.7496 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1113 4.0104 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8454 4.8481 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 4.4011 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0133 2.0145 -0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8946 3.0202 -1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6692 3.1748 -1.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2926 -1.8806 -3.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 23 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 39 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 3 1 0 0 0 0 53 5 1 0 0 0 0 19 14 1 0 0 0 0 35 22 1 0 0 0 0 50 45 1 0 0 0 0 35 25 1 0 0 0 0 33 27 1 0 0 0 0 1 56 1 0 0 0 0 1 57 1 0 0 0 0 1 58 1 0 0 0 0 4 59 1 0 0 0 0 5 60 1 1 0 0 0 9 61 1 0 0 0 0 9 62 1 0 0 0 0 9 63 1 0 0 0 0 10 64 1 6 0 0 0 11 65 1 0 0 0 0 11 66 1 0 0 0 0 11 67 1 0 0 0 0 15 68 1 0 0 0 0 16 69 1 0 0 0 0 16 70 1 0 0 0 0 17 71 1 0 0 0 0 17 72 1 0 0 0 0 18 73 1 0 0 0 0 18 74 1 0 0 0 0 19 75 1 1 0 0 0 23 76 1 1 0 0 0 24 77 1 0 0 0 0 24 78 1 0 0 0 0 26 79 1 0 0 0 0 28 80 1 0 0 0 0 29 81 1 0 0 0 0 32 82 1 0 0 0 0 34 83 1 0 0 0 0 35 84 1 6 0 0 0 38 85 1 0 0 0 0 39 86 1 6 0 0 0 40 87 1 1 0 0 0 41 88 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 46 94 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 48 97 1 0 0 0 0 48 98 1 0 0 0 0 49 99 1 0 0 0 0 49100 1 0 0 0 0 50101 1 6 0 0 0 55102 1 0 0 0 0 M END > NP0010667 > NP-MRD > [H]O[C@]12C3=C([H])C([H])=C(Cl)C([H])=C3N([H])[C@@]1([H])N1C(=O)[C@]3([H])N(N([H])C([H])([H])C([H])([H])C3([H])[H])C(=O)[C@@]([H])(N(C(=O)[C@]3([H])C([H])=C(OC([H])([H])[H])C([H])=NN3C(=O)[C@]3([H])N(N([H])C([H])([H])C([H])([H])C3([H])[H])C(=O)[C@]([H])(N([H])C(=O)[C@]1([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C36H47ClN10O8/c1-18(2)28-34(53)46-25(9-7-13-39-46)33(52)47-26(15-21(55-5)17-40-47)31(50)43(4)19(3)30(49)45-24(8-6-12-38-45)32(51)44-27(29(48)42-28)16-36(54)22-11-10-20(37)14-23(22)41-35(36)44/h10-11,14-15,17-19,24-28,35,38-39,41,54H,6-9,12-13,16H2,1-5H3,(H,42,48)/t19-,24+,25+,26-,27-,28+,35-,36+/m0/s1 > QUIDVZCZDYUVMF-IVKKAPITSA-N > C36H47ClN10O8 > 783.28 > 782.3266862 > 12 > 102 > 78.70795759997202 > 0 > 5 > 0 > 0 > (3R,10S,13S,20R,27R,30S,32R,40S)-36-chloro-32-hydroxy-15-methoxy-10,11-dimethyl-27-(propan-2-yl)-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0^{3,8}.0^{13,18}.0^{20,25}.0^{32,40}.0^{33,38}]tetraconta-14,16,33,35,37-pentaene-2,9,12,19,26,29-hexone > 0.62 > -1.461543028333332 > -2.97 > 0 > 7 > 0 > 12.801842687766914 > 10.898665689363462 > 4.460367202832576 > 208.56 > 220.14110000000008 > 2 > 0 > 8.31e-01 g/l > (3R,10S,13S,20R,27R,30S,32R,40S)-36-chloro-32-hydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0^{3,8}.0^{13,18}.0^{20,25}.0^{32,40}.0^{33,38}]tetraconta-14,16,33,35,37-pentaene-2,9,12,19,26,29-hexone > 0 > NP0010667 > NW-G06 $$$$