
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
    0.3748   -5.0250   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373   -4.4830   -0.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5709   -1.4525    2.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7938   -3.9918    3.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3516   -5.8064    1.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4190   -2.6543    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7677   -3.6512    0.2525 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8055   -3.7453    0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088   -2.4298    2.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -2.9508    0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827   -3.4713    1.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7672   -3.7577    1.3324 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377   -4.3829    2.2621 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2399   -2.3596    2.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3303   -2.9309    2.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313   -4.9345   -1.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742   -5.6110    0.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2461   -5.5890   -0.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3367   -5.3145   -0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0442   -4.9120   -0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276   -3.8170   -1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -1.1904    3.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691   -0.5295    2.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -1.8635    3.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9068   -2.9093    3.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273   -4.3512    4.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7847   -4.4426    3.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6188   -6.3397    2.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2122   -6.0578    0.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583   -6.1432    2.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -1.6338    0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6641   -2.6179   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635   -3.2942   -0.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  8  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  9  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 10  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  6  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID>
Z1246465616

>  <Barcode>
9990531664

>  <Well>
G08

>  <Plate_ID>
816280-06

>  <MW>
210.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H18N2O2/c1-7(11(14)13(4)5)6-10-8(2)12-15-9(10)3/h7H,6H2,1-5H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	12
3	C	11
4	C	14
5	C	15
6	C	5
7	C	8
8	C	7
9	C	6
10	C	1
11	C	3
12	N	2
13	N	9
14	O	10
15	O	4
16	H	27
17	H	25
18	H	26
19	H	23
20	H	22
21	H	24
22	H	19
23	H	20
24	H	21
25	H	28
26	H	30
27	H	29
28	H	32
29	H	31
30	H	33
31	H	16
32	H	17
33	H	18


> <ALATIS_Mixture_Map>

$$$$
