
    alatis_output_mol

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.9028   -5.7824   -1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7534   -3.5965   -0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557   -5.6078   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6109   -2.8365   -0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139   -4.8387   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411   -1.0523    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3994    0.5283   -1.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6827   -4.9896   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3694   -3.4378   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565   -0.7799   -0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.4030   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5665    0.4874   -0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7326   -0.6993   -1.1692 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    1.2042   -1.3752 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294   -0.0511    0.5747 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814   -2.6983    0.0543 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035    0.8739   -0.1831 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7276   -6.8587   -0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874   -5.5739   -2.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7367   -5.5188   -0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6937   -3.0852   -0.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706   -6.6916   -0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7131   -1.7556   -0.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709   -5.3536    0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977   -1.9386    1.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1393    1.0230   -2.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -3.2088    0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670    1.7520   -0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  2  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  2  0  0  0  0
  7 26  1  0  0  0  0
  8  3  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  2  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
 16 27  1  0  0  0  0
 17 12  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
>  <ID>
Z57101343

>  <Barcode>
9990529608

>  <Well>
B01

>  <Plate_ID>
816280-04

>  <MW>
225.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H11N5/c1-8-2-4-9(5-3-8)16-11-10-6-15-17-12(10)14-7-13-11/h2-7H,1H3,(H2,13,14,15,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
