@MOLECULE paclobutrazol 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.3553 0.5046 -0.5876 Cl 1 UNL1111111111 -0.0886 2 O 3.5377 -0.6850 -0.0160 O.3 1 UNL1111111111 -0.5195 3 N 1.0659 -1.4243 -0.0906 N.ar 1 UNL1111111111 -0.1478 4 N 1.0374 -2.3144 0.9351 N.ar 1 UNL1111111111 -0.2655 5 N 0.9902 -3.4296 -1.0416 N.ar 1 UNL1111111111 -0.3980 6 C 3.1784 1.7026 -0.1898 C.3 1 UNL1111111111 0.0682 7 C 2.7117 0.3558 0.4328 C.3 1 UNL1111111111 0.0928 8 C 1.2113 0.0143 0.1358 C.3 1 UNL1111111111 0.0297 9 C 0.3023 0.4700 1.2977 C.3 1 UNL1111111111 -0.3120 10 C 2.3395 2.8697 0.3411 C.3 1 UNL1111111111 -0.4644 11 C 3.0909 1.6633 -1.7214 C.3 1 UNL1111111111 -0.4647 12 C 4.6430 1.9051 0.2282 C.3 1 UNL1111111111 -0.4571 13 C -1.1258 0.4889 0.8493 C.ar 1 UNL1111111111 -0.0040 14 C 1.0465 -2.1104 -1.3037 C.ar 1 UNL1111111111 0.0586 15 C -1.6289 1.6045 0.1742 C.ar 1 UNL1111111111 -0.1565 16 C -1.9454 -0.6185 1.0829 C.ar 1 UNL1111111111 -0.1344 17 C 0.9866 -3.5348 0.3431 C.ar 1 UNL1111111111 0.0669 18 C -2.9474 1.6158 -0.2754 C.ar 1 UNL1111111111 -0.1652 19 C -3.2652 -0.6223 0.6379 C.ar 1 UNL1111111111 -0.1615 20 C -3.7358 0.4984 -0.0340 C.ar 1 UNL1111111111 0.0213 21 H 2.8985 0.3334 1.5325 H 1 UNL1111111111 0.1630 22 H 0.8843 0.5258 -0.8110 H 1 UNL1111111111 0.1570 23 H 0.4394 -0.2086 2.1726 H 1 UNL1111111111 0.1925 24 H 0.6159 1.4672 1.6658 H 1 UNL1111111111 0.1663 25 H 2.7501 3.8295 0.0024 H 1 UNL1111111111 0.1523 26 H 2.3327 2.9001 1.4364 H 1 UNL1111111111 0.1487 27 H 1.3036 2.8293 -0.0109 H 1 UNL1111111111 0.1454 28 H 3.7143 0.8695 -2.1480 H 1 UNL1111111111 0.1458 29 H 3.4532 2.6056 -2.1535 H 1 UNL1111111111 0.1564 30 H 2.0660 1.5288 -2.0803 H 1 UNL1111111111 0.1423 31 H 5.2609 1.0400 -0.0497 H 1 UNL1111111111 0.1638 32 H 5.0794 2.7889 -0.2464 H 1 UNL1111111111 0.1432 33 H 4.7410 2.0302 1.3121 H 1 UNL1111111111 0.1477 34 H 3.5430 -0.7541 -0.9933 H 1 UNL1111111111 0.3095 35 H 1.0464 -1.6509 -2.2741 H 1 UNL1111111111 0.1937 36 H -0.9939 2.4703 -0.0015 H 1 UNL1111111111 0.1537 37 H -1.5452 -1.4890 1.6081 H 1 UNL1111111111 0.1752 38 H 0.9482 -4.4736 0.8685 H 1 UNL1111111111 0.2013 39 H -3.3433 2.4830 -0.8019 H 1 UNL1111111111 0.1680 40 H -3.9045 -1.4878 0.8140 H 1 UNL1111111111 0.1758 @BOND 1 1 20 1 2 2 7 1 3 2 34 1 4 3 4 ar 5 3 8 1 6 3 14 ar 7 4 17 ar 8 5 14 ar 9 5 17 ar 10 6 7 1 11 6 10 1 12 6 11 1 13 6 12 1 14 7 8 1 15 7 21 1 16 8 9 1 17 8 22 1 18 9 13 1 19 9 23 1 20 9 24 1 21 10 25 1 22 10 26 1 23 10 27 1 24 11 28 1 25 11 29 1 26 11 30 1 27 12 31 1 28 12 32 1 29 12 33 1 30 13 15 ar 31 13 16 ar 32 14 35 1 33 15 18 ar 34 15 36 1 35 16 19 ar 36 16 37 1 37 17 38 1 38 18 20 ar 39 18 39 1 40 19 20 ar 41 19 40 1