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05-Jan-2023 GDB_13 Smiles: CC1(N)CNC2C3CC(C1)NC23 RHF 6-31G(d) (6D,10F) C1 167.142248 |X|Y|Z| 32.945813 20.965787 18.070491 23.196749 10 6 7 8 2 |36.858105| |12.426268|36.858105| |7.928431|12.973173|53.358707| |7.590592|12.348499|10.492400|36.858105| |6.494170|7.671018|6.899635|13.174123|53.358707| |4.536976|5.363898|5.396157|7.543550|18.223626|36.858105| |4.095718|4.651322|4.768838|5.345913|10.269676|12.610704|36.858105| |4.907727|5.484928|5.381611|5.354227|9.133603|7.515204|12.524683|36.858105| |5.229735|6.986593|6.847097|6.195069|8.568256|6.447168|7.724595|12.198704|36.858105| |7.500635|12.220396|10.736531|7.312501|8.306247|5.171035|5.200154|7.117345|12.378744|36.858105| |4.274284|5.902122|6.326030|6.428529|8.641530|7.502994|7.845589|7.796259|12.904719|7.647491|53.358707| |3.916335|4.919009|5.223134|6.095914|10.089470|12.750296|12.719340|7.914908|8.052646|5.455721|18.005958|36.858105| 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|5.942618|5.904986|5.582882|5.505431|9.698111|6.752853|8.773062|17.601971|8.639612|6.957333|7.980318|5.981953|0.142680|0.217079|0.130241|0.101087|0.104196|0.131387|0.122357|0.168350|0.141869|0.187501|0.302453|0.500000| |4.316662|5.373393|5.897837|4.651452|6.308845|4.837701|5.967899|8.843130|17.538212|9.158384|12.480760|6.122998|0.115019|0.122861|0.097661|0.099287|0.121200|0.131919|0.102596|0.105544|0.106786|0.133355|0.234382|0.184688|0.500000| |7.588125|8.822439|8.926117|5.529462|6.810532|4.296597|4.534239|6.517946|8.905598|17.520482|7.615003|4.396931|0.224829|0.197147|0.148137|0.140973|0.157266|0.137522|0.124597|0.117886|0.096190|0.103173|0.155101|0.192897|0.224913|0.500000| |5.732148|8.910424|11.086485|6.062556|6.596550|4.331686|4.316037|5.403669|9.103636|17.562317|9.719277|4.833594|0.155972|0.139559|0.126704|0.158610|0.235190|0.173017|0.133193|0.110436|0.097554|0.097375|0.128359|0.140722|0.232841|0.306642|0.500000| 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