NMPC 1387-Pentadecane, 2,6,10,14-tetramethyl (15979)
  -OEChem-12162307263D

 59 58  0     1  0  0  0  0  0999 V2000
   -2.7698    1.8597   -1.0568 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1837    2.1357    1.3257 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6006    2.4082   -0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9265    2.8247   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301    2.2689   -0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609    0.3748   -1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3616    0.6111    1.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416   -0.6189   -0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251    0.1511    0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4042   -2.0791   -0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -1.3704    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0819    2.0774   -0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058    2.7867    1.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -3.0782    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550   -1.8331   -0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6990   -2.9399    1.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2017   -2.8887    1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092   -1.2050   -2.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272   -1.4850   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185    2.4325   -1.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3226    2.3085    1.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918    1.9069    0.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7827    3.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7340    3.8903    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378    2.7946   -0.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0131    1.2282   -1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2519    2.8144   -1.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6559    0.2503   -2.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3848    0.0849   -2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064    0.1803    2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4322    0.1691    0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7230   -0.3600    0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4722   -0.5007    0.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621    0.5156    0.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152    0.6185   -0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4765   -2.1969   -1.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2272   -2.3280   -1.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994   -1.8405    1.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -1.7294   -0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0559    1.6382    0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2793    3.1486   -0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9260    1.6430   -0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.2990    2.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    3.8445    2.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2943    2.7332    1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3563   -4.0900    0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -2.9235   -0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7907   -3.7719    1.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7342   -2.0175    1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5751   -2.9702    0.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2646   -2.9331    0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1746   -3.6848    2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2351   -1.9349    1.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8347   -0.1340   -2.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3077   -1.6795   -2.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5991   -1.3512   -2.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2274   -1.8714    0.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9204   -1.9361   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3077   -0.4058   -0.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 15  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 46  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15979

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
3
179
217
223
98
253
162
236
229
110
256
136
1
244
202
184
50
32
41
22
130
80
243
112
72
255
169
239
15
234
49
180
94
238
201
102
258
193
92
89
219
86
48
170
257
81
69
115
125
173
52
241
63
118
9
231
55
145
165
129
251
164
47
214
70
252
254
182
21
10
167
222
54
135
146
196
12
82
185
77
195
90
30
121
235
208
151
46
178
2
233
218
91
79
113
248
127
227
18
23
240
14
107
76
211
65
126
40
119
97
209
122
62
188
26
249
230
147
142
245
116
117
138
186
11
114
95
221
158
210
4
206
56
250
109
45
74
137
33
38
16
160
29
133
177
36
25
111
168
42
159
226
203
100
148
78
57
64
13
198
104
7
51
96
163
31
35
66
43
88
93
60
172
187
205
246
124
166
59
242
39
141
105
67
220
24
237
189
232
183
75
20
140
73
149
134
58
44
161
8
128
200
132
37
212
34
171
192
207
123
27
225
84
17
190
131
28
139
6
174
215
176
61
85
157
5
224
99
204
120
213
103
144
53
87
194
152
199
153
143
68
106
216
83
191
247
197
228
181
156
101
155
19
175
154
150
71
108

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
12

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 12 hydrophobe
1 13 hydrophobe
3 14 16 17 hydrophobe
3 15 18 19 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
00003E6B00000003

> <PUBCHEM_MMFF94_ENERGY>
20.6498

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.3

> <PUBCHEM_SHAPE_FINGERPRINT>
11135609 12 18261954170993700832
12712778 12 18117535376644870138
12788726 201 17769091246782239184
14251705 54 17974840984834366033
14251740 79 17693384339266182486
14251757 5 18337678494855551710
15415430 2 18338223869707884549
15422964 175 17976535336732294061
1979834 28 17545888582362943515
20397935 3 18261397788377383038
20600515 1 18267881483776555172
20765182 114 18052256499451957583
21141583 151 18126840500273347918
23557571 272 18043803410579687971
2818148 4 18046092555308071989
5282940 2 16608580757869740486
5283178 26 18270697367578148187
6049 1 18337670931228473059
7987 15 18339086011262171895
9709674 26 18269257110314336933

> <PUBCHEM_SHAPE_MULTIPOLES>
391.01
8.15
4.81
1.72
4.24
0.34
-0.04
4.56
1.77
-2.53
-1.52
0.75
-0.06
3.31

> <PUBCHEM_SHAPE_SELFOVERLAP>
713.509

> <PUBCHEM_SHAPE_VOLUME>
251.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
