PM7 SPARKLE PRECISE NOINTER XYZ T=10D GNORM=0.25 + NOLOG GEO-OK EF SCFCRT=1.D-10 CHARGE=3.0 COORDINATION NUMBER = 9 Tm 0.0000000 1 0.0000000 1 0.0000000 1 N 2.4935000 1 0.0000000 1 0.0000000 1 N 1.0831114 1 0.5000039 1 -2.1210346 1 N 1.0455558 1 -2.0859203 1 -0.6815703 1 N -1.2638297 1 1.8795015 1 -1.1023002 1 N 0.7809284 1 2.1248703 1 0.9100490 1 N -1.8518144 1 0.8021387 1 1.4220867 1 N -1.4331585 1 -0.9461562 1 -1.7867066 1 N -1.3660410 1 -1.8993560 1 0.9044046 1 N 0.7070133 1 -0.6235620 1 2.2264455 1 C 2.9300744 1 -0.7156722 1 -1.2356627 1 C 4.4457490 1 -0.8114650 1 -1.3806100 1 H 2.8055577 1 0.8437418 1 0.0000000 1 H 2.8060303 1 -0.4202435 1 0.7314372 1 H 0.6777322 1 0.9886666 1 -2.7012489 1 H 0.6275006 1 -2.8308233 1 -0.5835630 1 H 4.8240308 1 0.0707954 1 -1.3696820 1 H 4.6609481 1 -1.2409099 1 -2.2105230 1 H 4.8049090 1 -1.3219402 1 -0.6517402 1 C 2.2377519 1 0.0483901 1 -2.3791419 1 C 2.9371995 1 0.2007194 1 -3.6903650 1 H 2.3269360 1 0.5600146 1 -4.3388011 1 H 3.2509333 1 -0.6570922 1 -3.9875023 1 H 3.6826674 1 0.7964925 1 -3.5886003 1 C 2.2064708 1 -2.0700548 1 -1.1777391 1 C 2.8828596 1 -3.2992950 1 -1.7386203 1 H 2.3279909 1 -4.0673927 1 -1.5883040 1 H 3.7287433 1 -3.4256451 1 -1.3025969 1 H 3.0229125 1 -3.1840110 1 -2.6813264 1 C -1.7837977 1 2.7711041 1 -1.4884117 1 C -2.4937252 1 3.9710387 1 -2.0088914 1 H -2.5995579 1 3.8923879 1 -2.9601967 1 H -1.9825554 1 4.7579790 1 -1.8068062 1 H -3.3573880 1 4.0360367 1 -1.5950438 1 C 1.1935249 1 3.1248460 1 1.3050113 1 C 1.7144688 1 4.3597893 1 1.7850677 1 H 2.4646159 1 4.6209219 1 1.2453777 1 H 1.9967585 1 4.2549086 1 2.6965064 1 H 1.0338226 1 5.0346605 1 1.7352109 1 C -2.7454627 1 1.1278051 1 2.0301568 1 C -3.9408283 1 1.5480285 1 2.8047762 1 H -4.3939440 1 2.2526281 1 2.3353067 1 H -3.6671865 1 1.8637614 1 3.6693090 1 H -4.5335354 1 0.8010699 1 2.9096941 1 C -1.7184680 1 -1.4912575 1 -2.7406013 1 C -2.0695339 1 -2.2510561 1 -3.9524588 1 H -1.8039778 1 -3.1669814 1 -3.8448258 1 H -1.6171503 1 -1.8739588 1 -4.7095661 1 H -3.0186561 1 -2.2089368 1 -4.0916604 1 C -1.9344124 1 -2.6800822 1 1.4589544 1 C -2.6482255 1 -3.7046480 1 2.2059830 1 H -2.2325114 1 -3.8222453 1 3.0623808 1 H -2.6199507 1 -4.5317689 1 1.7196913 1 H -3.5612272 1 -3.4351025 1 2.3268356 1 C 1.0253983 1 -1.1755791 1 3.1762805 1 C 1.3952396 1 -1.9108595 1 4.3718692 1 H 1.4742967 1 -1.3025924 1 5.1098349 1 H 2.2357382 1 -2.3521227 1 4.2288700 1 H 0.7203669 1 -2.5654163 1 4.5670261 1 0