@MOLECULE (5s)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-5-(2-methyl-2-propanyl)-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydro[1,2]thiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2h-pyrrol-2-one 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.7527 -1.6350 -0.3981 C.3 1 UNL111111111 0.0233 2 C 2.2142 -0.4915 1.0499 C.2 1 UNL111111111 0.6291 3 C 1.4282 -1.3138 0.1088 C.2 1 UNL111111111 -0.4198 4 C 2.2938 -1.9570 -0.7255 C.2 1 UNL111111111 0.3678 5 C 4.6325 -0.0675 1.4702 C.3 1 UNL111111111 -0.0547 6 C 4.9819 1.1900 0.7191 C.ar 1 UNL111111111 -0.0640 7 C 4.2864 2.3593 1.0289 C.ar 1 UNL111111111 -0.1402 8 C 4.6024 3.5610 0.3972 C.ar 1 UNL111111111 -0.0250 9 C 5.6284 3.5386 -0.5575 C.ar 1 UNL111111111 0.1570 10 O 2.0236 -2.7479 -1.7505 O.2 1 UNL111111111 -0.4143 11 N 3.5661 -0.8183 0.8289 N.am 1 UNL111111111 -0.5420 12 C 6.3087 2.3773 -0.9125 C.ar 1 UNL111111111 -0.2073 13 C 5.9781 1.1928 -0.2555 C.ar 1 UNL111111111 -0.1481 14 O 1.8533 0.3035 1.8807 O.2 1 UNL111111111 -0.5052 15 C 0.0011 -1.4733 0.1544 C.2 1 UNL111111111 0.3458 16 S -2.3078 -2.5306 0.0967 S.O2 1 UNL111111111 2.2746 17 N -0.5452 -2.6494 0.1216 N.2 1 UNL111111111 -0.7052 18 C -2.2690 -0.7496 -0.0366 C.ar 1 UNL111111111 -0.3991 19 C -0.9361 -0.3138 0.0711 C.ar 1 UNL111111111 -0.0986 20 C -0.6193 1.0254 -0.0356 C.ar 1 UNL111111111 -0.0782 21 C -1.6457 1.9191 -0.3779 C.ar 1 UNL111111111 -0.1706 22 O -2.7729 -3.0655 -1.1591 O.2 1 UNL111111111 -0.8827 23 O -2.8797 -2.9646 1.3373 O.2 1 UNL111111111 -0.8251 24 C 4.5876 -2.9359 -0.1694 C.3 1 UNL111111111 0.1203 25 C 4.4695 -3.8270 -1.4150 C.3 1 UNL111111111 -0.4729 26 C 6.0729 -2.5883 0.0055 C.3 1 UNL111111111 -0.4670 27 C 4.0631 -3.6871 1.0569 C.3 1 UNL111111111 -0.4669 28 F 5.9610 4.6726 -1.1569 F 1 UNL111111111 -0.1713 29 C 3.8869 4.8166 0.7300 C.3 1 UNL111111111 -0.4410 30 C -3.2893 0.1270 -0.3291 C.ar 1 UNL111111111 0.0308 31 C -2.9499 1.4772 -0.5754 C.ar 1 UNL111111111 0.0294 32 C -3.9806 2.4126 -1.1134 C.3 1 UNL111111111 -0.3404 33 C -5.1562 1.6258 -1.7294 C.3 1 UNL111111111 -0.0630 34 N -5.7112 0.6225 -0.8098 N.3 1 UNL111111111 -0.7409 35 C -4.7042 -0.3799 -0.4380 C.3 1 UNL111111111 -0.1059 36 S -6.7923 1.2064 0.4452 S.O2 1 UNL111111111 2.3367 37 O -6.3297 0.6993 1.7140 O.2 1 UNL111111111 -0.8973 38 O -6.9555 2.6246 0.2227 O.2 1 UNL111111111 -0.9198 39 C -8.2957 0.3740 0.0096 C.3 1 UNL111111111 -0.7318 40 H 4.2256 -1.0229 -1.2087 H 1 UNL111111111 0.1706 41 H 5.5284 -0.7227 1.6026 H 1 UNL111111111 0.1512 42 H 4.2894 0.1821 2.5138 H 1 UNL111111111 0.1778 43 H 3.4792 2.3269 1.7684 H 1 UNL111111111 0.1844 44 H 1.0443 -3.0148 -1.7667 H 1 UNL111111111 0.3724 45 H 7.0826 2.3911 -1.6783 H 1 UNL111111111 0.1712 46 H 6.5074 0.2750 -0.5046 H 1 UNL111111111 0.1537 47 H 0.4005 1.3815 0.1247 H 1 UNL111111111 0.1797 48 H -1.4032 2.9728 -0.5190 H 1 UNL111111111 0.1596 49 H 4.6152 -3.2645 -2.3431 H 1 UNL111111111 0.1506 50 H 5.2171 -4.6285 -1.3937 H 1 UNL111111111 0.1518 51 H 3.4934 -4.3242 -1.4817 H 1 UNL111111111 0.1645 52 H 6.2534 -1.9427 0.8735 H 1 UNL111111111 0.1504 53 H 6.6685 -3.4934 0.1674 H 1 UNL111111111 0.1545 54 H 6.4798 -2.0873 -0.8787 H 1 UNL111111111 0.1455 55 H 2.9971 -3.9324 0.9566 H 1 UNL111111111 0.1593 56 H 4.5999 -4.6273 1.2121 H 1 UNL111111111 0.1498 57 H 4.1635 -3.0895 1.9709 H 1 UNL111111111 0.1623 58 H 4.5542 5.5358 1.2318 H 1 UNL111111111 0.1669 59 H 3.4945 5.3170 -0.1683 H 1 UNL111111111 0.1655 60 H 3.0293 4.6529 1.4005 H 1 UNL111111111 0.1636 61 H -4.3511 3.0989 -0.3188 H 1 UNL111111111 0.1872 62 H -3.5460 3.0810 -1.8845 H 1 UNL111111111 0.1560 63 H -5.9570 2.3280 -2.0566 H 1 UNL111111111 0.1553 64 H -4.8086 1.0918 -2.6460 H 1 UNL111111111 0.1443 65 H -4.7483 -1.1771 -1.2333 H 1 UNL111111111 0.1766 66 H -4.9875 -0.8830 0.5265 H 1 UNL111111111 0.1901 67 H -8.1913 -0.7192 0.0513 H 1 UNL111111111 0.1915 68 H -9.1183 0.6440 0.6848 H 1 UNL111111111 0.1894 69 H -8.6205 0.6208 -1.0101 H 1 UNL111111111 0.1879 @BOND 1 1 4 1 2 1 11 1 3 1 24 1 4 1 40 1 5 2 3 1 6 2 11 am 7 2 14 2 8 3 4 2 9 3 15 1 10 4 10 1 11 5 6 1 12 5 11 1 13 5 41 1 14 5 42 1 15 6 7 ar 16 6 13 ar 17 7 8 ar 18 7 43 1 19 8 9 ar 20 8 29 1 21 9 12 ar 22 9 28 1 23 10 44 1 24 12 13 ar 25 12 45 1 26 13 46 1 27 15 17 2 28 15 19 1 29 16 17 1 30 16 18 1 31 16 22 2 32 16 23 2 33 18 19 ar 34 18 30 ar 35 19 20 ar 36 20 21 ar 37 20 47 1 38 21 31 ar 39 21 48 1 40 24 25 1 41 24 26 1 42 24 27 1 43 25 49 1 44 25 50 1 45 25 51 1 46 26 52 1 47 26 53 1 48 26 54 1 49 27 55 1 50 27 56 1 51 27 57 1 52 29 58 1 53 29 59 1 54 29 60 1 55 30 31 ar 56 30 35 1 57 31 32 1 58 32 33 1 59 32 61 1 60 32 62 1 61 33 34 1 62 33 63 1 63 33 64 1 64 34 35 1 65 34 36 1 66 35 65 1 67 35 66 1 68 36 37 2 69 36 38 2 70 36 39 1 71 39 67 1 72 39 68 1 73 39 69 1