52 ATOMS, 52 BONDS, 0 CHARGES 1 BR 0.4012 9.2449 5.9228 0.0000 2 Du -1.5985 9.5124 4.7165 0.0000 3 NPL3 -3.6245 8.6182 2.9218 0.0000 4 C2 -4.1028 7.5126 2.2439 0.0000 5 C2 -4.2327 9.9208 2.9515 0.0000 6 C2 -3.7417 10.9074 2.1561 0.0000 7 C2 -5.2961 10.1396 3.7881 0.0000 8 C2 -5.3717 12.4381 3.0483 0.0000 9 C2 -4.3242 12.1631 2.2198 0.0000 10 C2 -5.8408 11.4160 3.8129 0.0000 11 C3 -5.9677 13.8154 3.1251 0.0000 12 C2 -2.4840 8.3207 3.5559 0.0000 13 C3 -5.8045 9.0569 4.6456 0.0000 14 CL 3.9608 3.8236 7.3621 0.0000 15 CL 2.0243 10.4448 2.8754 0.0000 16 CL 3.9833 12.0881 1.5486 0.0000 17 CL 1.1873 12.6110 1.2765 0.0000 18 CL 4.5291 1.6877 9.0741 0.0000 19 CL 5.7921 1.7921 6.5990 0.0000 20 NPL3 -2.2636 7.0202 3.2527 0.0000 21 C2 -0.0943 6.0897 2.6202 0.0000 22 C2 1.4496 7.0237 1.1369 0.0000 23 C3 -1.0950 6.2482 3.6814 0.0000 24 C2 -3.2491 6.5195 2.4558 0.0000 25 C2 0.5613 7.1823 2.1142 0.0000 26 C2 1.6922 5.7570 0.6729 0.0000 27 C3 5.1570 2.6890 7.8821 0.0000 28 C3 -2.6246 10.6232 1.2077 0.0000 29 C3 2.4068 11.3746 1.4846 0.0000 30 NPL3 0.1241 4.8448 2.1764 0.0000 31 C2 1.0178 4.7148 1.2099 0.0000 32 H 5.9135 3.1839 8.1883 0.0000 33 H 2.3599 10.7697 0.8792 0.0000 34 H -2.4826 11.3023 0.8908 0.0000 35 H -2.9452 9.9500 0.5730 0.0000 36 H -1.8693 10.2369 1.6117 0.0000 37 H -6.5919 13.9014 2.5221 0.0000 38 H -4.0955 12.7972 1.8215 0.0000 39 H -3.1986 5.6758 2.1754 0.0000 40 H -6.5078 9.3430 5.1609 0.0000 41 H -4.8458 7.6132 1.7180 0.0000 42 H -5.1502 8.7771 5.2880 0.0000 43 H -6.2198 8.4277 4.1990 0.0000 44 H -5.4903 14.4158 2.7360 0.0000 45 H -6.4418 11.6361 4.4488 0.0000 46 H 1.0875 3.7699 0.8536 0.0000 47 H -0.7302 6.6774 4.3474 0.0000 48 H -6.5903 13.9499 3.8896 0.0000 49 H 2.2847 5.5894 -0.0424 0.0000 50 H 1.8733 7.5816 0.8299 0.0000 51 H -1.4313 5.3958 4.0175 0.0000 52 H 0.3700 7.9805 2.4152 0.0000 1 49 26 SINGLE 2 35 28 SINGLE 3 26 22 DOUBLE 4 26 31 SINGLE 5 50 22 SINGLE 6 46 31 SINGLE 7 33 29 SINGLE 8 34 28 SINGLE 9 22 25 SINGLE 10 28 36 SINGLE 11 28 6 SINGLE 12 31 30 DOUBLE 13 17 29 SINGLE 14 29 16 SINGLE 15 29 15 SINGLE 16 41 4 SINGLE 17 38 9 SINGLE 18 25 52 SINGLE 19 25 21 DOUBLE 20 6 9 SINGLE 21 6 5 DOUBLE 22 39 24 SINGLE 23 30 21 SINGLE 24 9 8 DOUBLE 25 4 24 DOUBLE 26 4 3 SINGLE 27 24 20 SINGLE 28 37 11 SINGLE 29 21 23 SINGLE 30 44 11 SINGLE 31 3 5 SINGLE 32 3 12 DOUBLE 33 5 7 SINGLE 34 8 11 SINGLE 35 8 10 SINGLE 36 11 48 SINGLE 37 20 12 SINGLE 38 20 23 SINGLE 39 12 2 SINGLE 40 23 51 SINGLE 41 23 47 SINGLE 42 7 10 DOUBLE 43 7 13 SINGLE 44 10 45 SINGLE 45 43 13 SINGLE 46 13 40 SINGLE 47 13 42 SINGLE 48 2 1 SINGLE 49 19 27 SINGLE 50 14 27 SINGLE 51 27 32 SINGLE 52 27 18 SINGLE