
    alatis_output_mol

 30 31  0  0  1  0  0  0  0  0999 V2000
   -6.5740   -2.8851    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3073    0.6302    0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966    0.5521   -0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1756   -0.4509    0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8471   -0.4611    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9538    0.4225    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3490    1.1200   -1.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6507   -1.7149    0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0525   -0.7820   -1.0789 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5126   -0.8678    0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4071   -0.3135   -0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289   -0.0462   -2.1728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3242   -1.9417    0.1646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1755   -1.1388   -0.1352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199    0.7027   -1.4946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0147   -3.7892   -0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1229   -3.0695    1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2862   -2.6864   -0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6796    1.6297    0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8511    0.0422   -0.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666    1.3235    0.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2436   -0.3038    0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3293   -1.3533    0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2182   -0.0251    0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2641    1.2590    0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6047    1.9001   -1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341    1.5456   -2.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590   -1.8537   -1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188    0.2775   -2.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9575   -2.1268   -0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  6  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
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  2  0  0  0  0
  6 25  1  0  0  0  0
  7  3  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  6  0  0  0
 10 14  1  0  0  0  0
 12  9  1  0  0  0  0
 12 29  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 14 30  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z1267881672

>  <Barcode>
0110705197

>  <Well>
D12

>  <Plate_ID>
816280-03

>  <MW>
205.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	10
3	C	15
4	C	12
5	C	13
6	C	9
7	C	11
8	C	8
9	C	6
10	C	3
11	C	1
12	N	5
13	N	4
14	N	2
15	O	7
16	H	26
17	H	28
18	H	27
19	H	20
20	H	29
21	H	30
22	H	23
23	H	24
24	H	25
25	H	19
26	H	21
27	H	22
28	H	18
29	H	17
30	H	16


> <ALATIS_Mixture_Map>

$$$$
