HMDB0249630 RDKit 3D Carbetapentane 55 56 0 0 0 0 0 0 0 0999 V2000 5.9972 1.6978 0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7806 1.3725 1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 0.0784 0.9129 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0233 -1.0443 1.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 -1.3016 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.0888 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 0.6315 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3248 0.3288 0.2547 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9562 -0.9977 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2263 -1.3778 1.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 -0.6668 0.6963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9897 -0.6524 -0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 -1.2970 -1.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 0.1067 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4385 -0.5199 -0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6336 -0.6704 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7167 -1.2822 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6684 -1.7763 0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4805 -1.6298 1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3757 -1.0096 0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2132 0.5382 -2.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1194 2.0608 -2.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4018 2.3725 -1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0767 1.4229 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9073 1.6176 0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1214 1.0973 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 2.7944 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9798 1.5778 2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9933 2.1323 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -1.9498 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2839 -1.0412 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -1.2731 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 -0.7385 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 -2.3836 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3766 0.2932 -1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 -1.1867 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4878 1.7361 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0222 0.3422 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 -1.2393 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 -1.6700 0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4551 -2.4519 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 -1.2941 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6547 -0.2743 -1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6300 -1.3660 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5557 -2.2510 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4294 -2.0117 2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -0.9504 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2488 0.2013 -2.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 0.2389 -2.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1217 2.5398 -2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4821 2.3906 -3.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6251 3.4293 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 2.2556 -1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5577 1.2777 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 1.8618 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 14 1 0 20 15 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 M END