
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -1.3745   -2.4981   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914    0.0963   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303    5.9984    1.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102    5.7436    1.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2496    5.0137    2.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1149    4.4968    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416    3.7729    1.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7720   -1.2289   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071   -1.2102   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970   -0.0028   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1535    3.4789    0.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329    1.0914    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3176   -0.0626   -0.0306 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    1.1517    0.0269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    2.2522    0.0928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1242   -3.0900   -0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1352   -3.0767    0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4529   -2.3110   -0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116    1.1437   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2998   -0.3870    0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3062   -0.3821   -0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5694    6.9612    2.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6747    6.5131    1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1796    5.2031    2.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0402    4.3269    0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321    3.0336    1.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3322   -2.1546   -0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780    1.9876    0.0430 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 10  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  2  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  9  8  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
>  <ID>
Z285675722

>  <Barcode>
9990529550

>  <Well>
G10

>  <Plate_ID>
816280-04

>  <MW>
199.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
