HMDB0029381 RDKit 3D 6-O-Methylcodeine 46 50 0 0 0 0 0 0 0 0999 V2000 4.8563 -2.3449 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8847 -1.4593 -0.3468 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -1.5284 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1481 -2.4845 0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8159 -2.5154 1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -1.6273 0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.7389 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6518 -0.6271 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7136 0.4592 -1.3787 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 1.2194 -1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5843 2.4451 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1555 2.3238 0.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1971 3.2345 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8358 2.9664 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7684 2.0958 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2914 0.7550 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2418 -0.3059 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5248 -1.5786 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1198 -0.7113 -0.1979 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0639 0.2681 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3393 -1.2786 -1.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 -0.3929 -1.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 0.2559 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -3.3927 0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1568 -1.9985 1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 -2.3569 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8671 -3.1977 1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4953 -3.2677 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1892 1.4837 -2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 3.2467 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 4.2932 0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 3.0899 0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6765 3.1803 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 3.9882 -0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 2.4971 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 0.8356 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 0.0309 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0858 -2.4902 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 -1.5659 2.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4923 0.8646 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 0.9684 -1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -0.1908 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0648 -1.4568 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9219 -2.2572 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 -1.0557 -2.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6265 0.3211 -2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 8 3 1 0 23 10 1 0 18 6 1 0 23 7 1 0 23 16 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 0 10 29 1 0 11 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 M END