
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -4.9731    6.3251   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4747    3.7118   -0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4616    4.8985    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7930    2.4968   -0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798    3.6814    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087    0.0720   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3965    0.9412    0.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899   -1.1858    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4922    6.2714   -0.5427 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8182    4.9325   -0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244    2.4500   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6927    1.1707    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3509    6.6501   -1.9514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3472   -1.1092   -0.7309 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -0.2110    0.9289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3699    7.3380   -0.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5889    5.6535   -0.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1139    6.0506    0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5238    3.6801   -0.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9129    5.8269    0.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3617    1.5802   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807    3.7223    0.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276    0.1019   -1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7578    1.7038    1.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2428   -2.1182    0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836    7.0312    0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610    5.9194   -2.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3598    6.6616   -2.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  2  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  7 12  2  0  0  0  0
  7 24  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10  3  2  0  0  0  0
 11 12  1  0  0  0  0
 13  9  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z1696822287

>  <Barcode>
9990532013

>  <Well>
B06

>  <Plate_ID>
816280-05

>  <MW>
199.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	9
3	C	10
4	C	7
5	C	8
6	C	13
7	C	14
8	C	6
9	C	11
10	C	5
11	C	2
12	C	1
13	N	12
14	N	3
15	N	4
16	H	27
17	H	26
18	H	28
19	H	19
20	H	20
21	H	17
22	H	18
23	H	24
24	H	25
25	H	16
26	H	21
27	H	22
28	H	23


> <ALATIS_Mixture_Map>

$$$$
