HMDB0001260 RDKit 3D ADP-Ribosyl-L-arginine 82 85 0 0 0 0 0 0 0 0999 V2000 -7.2880 -2.6170 1.8271 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5129 -1.7767 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0839 -1.2581 -0.0306 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4748 -1.5326 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3461 -0.4854 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9644 0.8795 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8467 1.9071 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2392 1.6264 0.2682 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5370 3.2533 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3744 3.7473 0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4804 4.0316 -0.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1437 -1.4708 1.2315 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1888 -1.2919 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -1.0495 0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 -1.8232 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 -1.1016 -1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 0.0119 -0.5689 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1745 0.8342 -1.7802 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7554 1.8436 -2.4236 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6937 -0.2082 -3.0237 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5201 1.6588 -1.1774 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 0.8198 0.0574 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3641 -0.2215 0.6795 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6432 1.9330 1.3001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7178 0.1015 -0.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -0.3118 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7655 -0.9627 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4691 -0.0128 -0.5481 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2763 0.6473 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2811 1.4438 -0.2494 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 2.0842 -1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3453 2.7291 -1.6574 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 2.5074 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4854 2.9326 -0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2075 3.7621 -1.3045 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0858 2.5289 0.7109 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4191 1.7304 1.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 1.3162 1.3567 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5067 1.6855 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8642 -0.5289 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7574 -1.2525 0.3614 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 -1.3792 1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0305 -0.9747 2.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -3.0392 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1582 -3.4181 -1.6688 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1412 -2.5599 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3209 -2.2846 -2.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6622 -2.2372 2.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5192 -3.6063 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 -2.5464 0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6174 -1.4752 -1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1871 -0.5150 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4140 -0.7086 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2230 0.9177 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9107 1.0692 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6885 1.8679 1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5915 0.9720 1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3151 1.1066 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2896 3.5757 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8598 -1.3812 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5765 -0.4493 -0.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -2.1530 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -1.7817 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -0.8355 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.0457 -3.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 1.5647 2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 0.5759 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -1.0524 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5063 -1.8313 -0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6363 1.1995 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3499 2.1142 -2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7226 4.5290 -1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2154 3.6104 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9789 1.4483 2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3001 -0.2008 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6055 -2.2271 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8556 -2.4612 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7213 -0.7675 3.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6683 -3.8332 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4123 -4.3695 -1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8878 -3.3103 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2902 -1.3088 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 18 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 29 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 15 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 46 13 1 0 42 27 1 0 39 30 1 0 39 33 1 0 1 48 1 0 1 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 11 59 1 0 12 60 1 0 13 61 1 0 15 62 1 0 16 63 1 0 16 64 1 0 20 65 1 0 24 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 29 70 1 0 31 71 1 0 35 72 1 0 35 73 1 0 37 74 1 0 40 75 1 0 41 76 1 0 42 77 1 0 43 78 1 0 44 79 1 0 45 80 1 0 46 81 1 0 47 82 1 0 M END