
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.9095   -1.1229   -2.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420   -7.1208   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0933   -6.3269   -1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570   -6.5277    0.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9580   -4.9381   -1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7216   -5.1393    1.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927   -2.2335   -2.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5859   -1.8666   -3.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1421   -2.8243    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673   -4.3275    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430   -2.1494   -1.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650   -2.3949    0.0611 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338   -1.7706   -0.9853 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5853   -1.5902   -2.2682 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4836   -0.9606   -1.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -0.1833   -3.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3966   -1.8798   -3.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6438   -8.2018   -0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6275   -6.7894   -1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244   -7.1460    1.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3957   -4.3356   -1.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1824   -4.6913    1.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4666   -2.5215   -2.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7183   -1.7794   -4.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7238   -2.3442   -0.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6006   -2.4855    1.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546   -2.4520    0.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8 14  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  2  0  0  0  0
 12 11  1  0  0  0  0
 12 27  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <ID>
Z1401333862

>  <Barcode>
9990531677

>  <Well>
F06

>  <Plate_ID>
816280-06

>  <MW>
187.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
