Mercurial > repos > marcel > caddsuite_mac10_6

annotate CADDSuite/data/atomtyping/AMBERTypes.dat @ 3:bb26168c5715

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Uploaded
author marcel
date Tue, 12 Jul 2011 10:53:07 -0400
parents 8ce0411aaeb3
children
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1 CT 6 4 * * * *
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2 C 6 3 * * * (XA1)
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3 CN 6 3 * * [RG5,RG6,AR1.AR2.AR3] (C3,C3,N3(H))
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4 CB 6 3 * * [RG5,RG6,AR1.AR2.AR3] *
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5 CR 6 3 * * [RG5,AR1.AR2.AR3] (N3,N3)
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6 CR 6 3 * * [RG5,AR1.AR2.AR3] (N2,N3(H))
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7 CK 6 3 * * [RG5,AR1.AR2.AR3] (N2,N3)
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8 CC 6 3 0 * [RG5,AR1.AR2.AR3] (C3,N3(C3,H))
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9 CC 6 3 0 * [RG5,AR1.AR2.AR3] (C3,N2(C3))
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10 CW 6 3 * * [RG5,AR1.AR2.AR3] (C3,N3(H))
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11 CV 6 3 * * [RG5,AR1.AR2.AR3] (C3,N2)
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12 C* 6 3 * * [RG5,AR1.AR2.AR3] (C3,C3)
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13 CQ 6 3 * * [RG6,AR1.AR2.AR3] (N2,N2)
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14 CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,C3(N2(C3(N3(C3)))))
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15 CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,C3(N3(C3(N3(C3)))))
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16 CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,N3(C3(N2(C3(C3)))))
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17 CM 6 3 * * [RG6,AR1.AR2.AR3] (N3,C3(C3(N3(C3(N3)))))
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18 CA 6 3 * * [AR1.AR2.AR3] *
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19 CD 6 3 * * * (C3,C3)
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20 CM 6 3 * * * *
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21 CZ 6 2 * * * *
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22 H 1 1 * * * (N)
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23 HS 1 1 * * * (S)
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24 HP 1 1 * * * (C(N4))
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25 HW 1 1 * * * (O(H1))
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26 HO 1 1 * * * (O)
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27 H1 1 1 * 1 * (C4)
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28 H2 1 1 * 2 * (C4)
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29 H3 1 1 * 3 * (C4)
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30 HC 1 1 * * * (C4)
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31 H4 1 1 * 1 * (XX[AR1.AR2.AR3])
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32 H5 1 1 * 2 * (XX[AR1.AR2.AR3])
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33 HA 1 1 * * * (XX[AR1.AR2.AR3])
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34 F 9 1 * * * *
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35 Cl 17 1 * * * *
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36 Br 35 1 * * * *
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37 I 53 1 * * * *
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38 N1 7 1 * * * *
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39 NB 7 2 * * [RG5,AR1.AR2.AR3] *
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40 NC 7 2 * * [RG6,AR1.AR2.AR3] *
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41 N2 7 -1 * * * (C3(N3,N3))
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42 NO 7 -1 * * * (O1,O1)
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43 NA 7 3 1 * [RG5.RG6,AR1.AR2.AR3] *
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44 N2 7 3 * * [NR] (XX[AR1.AR2.AR3])
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45 N* 7 3 * * [AR1.AR2.AR3] *
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46 N 7 3 * * * (C3(XA1))
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47 NT 7 3 * * * *
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48 N3 7 4 * * * *
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49 O2 8 1 * * * (C(O1))
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50 O2 8 1 * * * (P)
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51 O 8 1 * * * (C)
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52 O 8 1 * * * (S)
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53 OH 8 2 1 * * *
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54 OW 8 2 2 * * *
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55 OS 8 2 * * * *
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56 SH 16 2 1 * * *
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57 SH 16 2 2 * * *
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58 S 16 2 * * * *
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59 SO 16 4 * * * *
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60 LP 0 -1 * * * *
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61 DU -1 -1 * * * *