LL3D4G -OEChem-05032301503D 49 51 0 1 0 0 0 0 0999 V2000 6.2116 -2.4639 -1.9556 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8643 -1.6175 -0.8238 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6611 -3.2151 0.0288 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 2.4598 -1.6943 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1475 -2.1556 2.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 1.0100 1.4563 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 1.3112 -0.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1524 -0.7096 -1.7028 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9393 -1.7239 -1.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5499 0.1240 -0.7888 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5137 -3.4675 0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 1.6885 1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 2.1127 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9756 1.3869 -0.9481 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3881 1.6795 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 1.9308 1.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.0092 2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 1.8569 -0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8486 0.1745 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0206 0.8664 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 2.8782 -1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 2.6933 -0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4806 -0.2943 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 -0.3445 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1363 -1.4648 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 1.0497 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0089 -1.3217 1.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6699 -1.0409 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9473 -2.3474 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -2.0650 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 1.4051 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 2.9124 1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 2.0159 2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 0.5258 2.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8128 0.8586 0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 0.5762 1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 2.2823 -1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4694 3.1735 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8493 3.7991 -1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 2.7678 0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0817 3.5589 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6307 2.7693 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4656 0.1503 1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8593 -0.6838 -2.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6423 -0.5380 2.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6549 1.9726 -0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -2.2666 1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3711 -3.6648 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0882 -4.1197 0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 18 2 0 0 0 0 5 29 2 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 36 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 44 1 0 0 0 0 9 25 2 0 0 0 0 10 26 1 0 0 0 0 10 28 2 0 0 0 0 11 29 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 19 1 0 0 0 0 14 22 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 20 26 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 45 1 0 0 0 0 25 29 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 30 1 0 0 0 0 M END $$$$