
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2249    0.0069    0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686    1.1429    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257   -1.2459    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1509   -4.8789    0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8589    0.9714   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2316   -5.9155    0.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7283   -4.0764   -0.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7123   -2.6099   -0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2390   -4.0369   -0.4845 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7173   -1.3377    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3264   -5.1313   -0.0156 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593   -0.2343   -0.1281 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912   -2.6205    0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    0.0901    0.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8968    2.1347    0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995   -2.1440    0.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1645   -5.3353    0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3753   -4.2813    1.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5001    1.8253   -0.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5300   -6.4192    1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -6.6721   -0.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2353   -3.1290   -0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583   -4.2971   -1.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2834   -2.0810    0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8646   -2.0911   -1.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6773   -4.5539   -1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9580   -5.7158   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346   -3.1721   -0.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 14  1  0  0  0  0
  2  1  1  0  0  0  0
  2  5  2  0  0  0  0
  2 15  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6  4  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9  8  1  0  0  0  0
  9 26  1  0  0  0  0
 11  6  1  0  0  0  0
 11  7  1  0  0  0  0
 11 27  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
>  <ID>
Z1262327505

>  <Barcode>
9990531725

>  <Well>
B06

>  <Plate_ID>
816280-06

>  <MW>
177.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h1-3,5,9,11H,4,6-8H2,(H,12,13)/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
