No title 1.0 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 Sn N C H O 1 3 12 31 1 Direct 0.56864658 0.47235319 0.47997753 # 1 Sn 0.34064688 0.51238759 0.45644652 # 2 N1 0.63490415 0.36859559 0.41553163 # 3 N2 0.61218524 0.45309772 0.61001855 # 4 N3 0.59419969 0.60747981 0.41431168 # 5 C1 0.58378534 0.68628193 0.47960221 # 6 C2 0.67820609 0.70816135 0.51648311 # 7 C3 0.74207787 0.63977614 0.47322329 # 8 C4 0.69320589 0.61071572 0.38841111 # 9 C5 0.52953238 0.60931217 0.33605836 # 10 C6 0.31772839 0.58801528 0.51273826 # 11 C7 0.26913217 0.44724431 0.46398926 # 12 C8 0.59749637 0.52269026 0.67641760 # 13 C9 0.59665600 0.36456366 0.64686291 # 14 C10 0.72853947 0.35103387 0.42972355 # 15 C11 0.60657253 0.35213766 0.32391728 # 16 C12 0.55787091 0.74332780 0.44062630 # 17 H1 0.53404226 0.67447393 0.53220495 # 18 H2 0.69705934 0.77649086 0.49741483 # 19 H3 0.68120384 0.70564835 0.58973291 # 20 H4 0.80859742 0.66768009 0.45970821 # 21 H5 0.75167326 0.58181220 0.51764117 # 22 H6 0.71901723 0.54887164 0.35862201 # 23 H7 0.69964631 0.66313962 0.33643723 # 24 H8 0.53982110 0.67245751 0.29910993 # 25 H9 0.45952338 0.60467609 0.35779014 # 26 H10 0.54221437 0.55411916 0.28935764 # 27 H11 0.30920782 0.57117920 0.58388433 # 28 H12 0.25178421 0.61712277 0.49393634 # 29 H13 0.36679734 0.64270486 0.50956344 # 30 H14 0.20280570 0.47546804 0.44477861 # 31 H15 0.25888581 0.42338480 0.53347260 # 32 H16 0.28100099 0.38805182 0.42079643 # 33 H17 0.52884287 0.52288978 0.70374338 # 34 H18 0.61116245 0.58904957 0.64844596 # 35 H19 0.64372426 0.51275536 0.73310658 # 36 H20 0.60893089 0.31347792 0.59559345 # 37 H21 0.52780527 0.35660606 0.67288592 # 38 H22 0.64288645 0.35223673 0.70305302 # 39 H23 0.77338623 0.39074262 0.38549995 # 40 H24 0.74212437 0.27916100 0.41684128 # 41 H25 0.74571151 0.36512619 0.49997702 # 42 H26 0.53509045 0.36543846 0.31665048 # 43 H27 0.61610175 0.28098456 0.30648096 # 44 H28 0.64269595 0.39330134 0.27416537 # 45 H29 0.40846063 0.41089606 0.46048005 # 46 H30 0.45956087 0.31563952 0.48980348 # 47 H31 0.46130805 0.36786243 0.44461593 # 48 O