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5
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1 C.3 6 4 * * * *
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2 C.cat 6 3 * * * (N3,N3,N3)
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3 C.ar 6 3 * * [AR1] *
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4 C.2 6 3 * * * *
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5 C.1 6 2 * * * *
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6 C.1 6 1 * * * *
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7 H 1 -1 * * * *
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8 F 9 -1 * * * *
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9 Cl 17 -1 * * * *
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10 Br 35 -1 * * * *
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11 I 53 -1 * * * *
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12 P.3 15 -1 * * * *
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13 N.4 7 4 * * * *
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14 N.am 7 3 * * * (C3(XA1))
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15 N.pl3 7 3 * * * (O1,O1)
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16 N.pl3 7 3 * * [AR1.AR2.AR3] *
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17 N.3 7 3 * * * *
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18 N.ar 7 2 * * [AR1] *
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19 N.2 7 2 * * * *
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20 N.1 7 1 * * * *
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21 O.co2 8 1 * * * (C3(O1))
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22 O.co2 8 1 * * * (P(O1))
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23 O.2 8 1 * * * *
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24 O.3 8 2 * * * *
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25 S.2 16 1 * * * *
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26 S.3 16 2 * * * *
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27 S.o 16 3 * * * (O1[DB'])
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28 S.o2 16 4 * * * (O1[DB'],O1[DB'])
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29 s.3 16 -1 * * * *
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30 Li 3 -1 * * * *
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31 Be 4 -1 * * * *
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32 B 5 -1 * * * *
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33 Na 11 -1 * * * *
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34 Mg 12 -1 * * * *
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35 Al 13 -1 * * * *
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36 Si 14 -1 * * * *
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37 K 19 -1 * * * *
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38 Ca 20 -1 * * * *
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39 Sr 38 -1 * * * *
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40 Ba 56 -1 * * * *
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41 Sc 21 -1 * * * *
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42 Ti 22 -1 * * * *
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43 V 23 -1 * * * *
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44 Cr 24 -1 * * * *
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45 Mn 25 -1 * * * *
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46 Fe 26 -1 * * * *
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47 Co 27 -1 * * * *
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48 Ni 28 -1 * * * *
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49 Cu 29 -1 * * * *
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50 Zn 30 -1 * * * *
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51 Ga 31 -1 * * * *
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52 Ge 32 -1 * * * *
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53 As 33 -1 * * * *
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54 Se 34 -1 * * * *
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55 Ru 44 -1 * * * *
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56 Rh 45 -1 * * * *
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57 Pd 46 -1 * * * *
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58 Ag 47 -1 * * * *
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59 Cd 48 -1 * * * *
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60 Pt 78 -1 * * * *
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61 Au 79 -1 * * * *
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62 Hg 80 -1 * * * *
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63 Tl 81 -1 * * * *
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64 Pb 82 -1 * * * *
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65 lp 0 1 * * * *
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66 ANY -1 -1 * * * * *
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