KSH2210-02215883 45 49 0 0 0 0 0 0 0 0999 V2000 2.7014 -0.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 -1.5722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 1.9718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1648 1.0841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7433 1.0841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5479 -2.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1989 -0.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -3.8801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9719 2.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1193 -2.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5373 2.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9672 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0802 1.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9692 -4.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4246 -3.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9284 0.4693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7994 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0022 3.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4216 3.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2337 1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2833 4.4163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5603 2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2946 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2966 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 -0.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6414 -3.9663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4429 -4.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6888 -5.1086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5055 -2.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0242 -3.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4072 0.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2432 1.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3257 0.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0798 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9286 3.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 3.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8934 3.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 4.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3265 0.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8336 1.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 2.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4177 -0.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8939 0.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 3 1 0 0 0 0 12 21 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 19 1 0 0 0 0 23 10 2 0 0 0 0 24 14 2 0 0 0 0 25 17 1 0 0 0 0 26 24 1 0 0 0 0 4 6 1 0 0 0 0 9 7 2 0 0 0 0 12 22 1 0 0 0 0 15 16 1 0 0 0 0 25 26 2 0 0 0 0 8 27 1 0 0 0 0 13 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END >KSH2210-02215883-01 > Kishida2210 > S454-0728 > - > ChemDiv > KS151-4306821 > C17H19N7O2 > 353.386 > 0 > 1 > 6 > 0 > 105.7300 > -9.3852 > -0.7296 > -3.627 > 2.186 > -5.524 > c1cnc(C(N3CCC(n5nnc(c4onc(C2CC2)n4)c5)CC3)=O)c1 > HTS2204-00158428 > 91891975 $$$$