@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442695 42 46 1 SMALL USER_CHARGES @ATOM 1 N1 15.4168 -9.8158 -0.4407 N.2 1 noname -0.2396 2 C1 14.3687 -10.0708 0.3873 C.2 1 noname 0.0624 3 C2 16.3838 -10.7448 -0.6267 C.2 1 noname 0.0144 4 N2 13.4047 -9.1448 0.5733 N.3 1 noname -0.1017 5 C3 14.2817 -11.3068 1.0563 C.2 1 noname -0.0225 6 N3 16.3177 -11.9338 0.0043 N.3 1 noname -0.0883 7 C4 17.5317 -10.7228 -1.4166 C.2 1 noname 0.0582 8 C5 13.4326 -7.8747 -0.0565 C.3 1 noname 0.0042 9 C6 15.3006 -12.2497 0.8423 C.2 1 noname -0.0462 10 N4 17.3277 -12.6778 -0.3126 N.2 1 noname -0.3036 11 C7 18.0287 -9.6957 -2.2726 C.2 1 noname -0.0306 12 C8 18.0887 -11.9808 -1.1746 C.2 1 noname 0.0437 13 C9 12.1895 -7.0767 0.3544 C.3 1 noname -0.0284 14 C10 17.4596 -8.3997 -2.2845 C.2 1 noname -0.0218 15 C11 19.1137 -9.9467 -3.1446 C.2 1 noname -0.0308 16 C12 11.6235 -5.9886 -0.5615 C.3 1 noname -0.0489 17 C13 10.8505 -7.2936 -0.3524 C.3 1 noname -0.0489 18 C14 17.9456 -7.3896 -3.1385 C.2 1 noname -0.0341 19 C15 19.6106 -8.9506 -4.0015 C.2 1 noname -0.0400 20 C16 19.0336 -7.6676 -4.0085 C.2 1 noname -0.0307 21 C17 17.3646 -6.1035 -3.1405 C.2 1 noname -0.0467 22 C18 19.5196 -6.6585 -4.8644 C.2 1 noname -0.0462 23 C19 17.8575 -5.1055 -3.9974 C.2 1 noname -0.0569 24 C20 18.9325 -5.3824 -4.8574 C.2 1 noname -0.0569 25 H1 12.6636 -9.3557 1.1614 H 1 noname 0.1296 26 H2 13.5026 -11.5147 1.6804 H 1 noname 0.0670 27 H3 14.3246 -7.3256 0.2484 H 1 noname 0.0435 28 H4 13.4406 -7.9987 -1.1415 H 1 noname 0.0435 29 H5 15.2726 -13.1567 1.3074 H 1 noname 0.0815 30 H6 18.9537 -12.3337 -1.5845 H 1 noname 0.0864 31 H7 12.2105 -6.9056 1.4315 H 1 noname 0.0316 32 H8 16.6836 -8.1756 -1.6625 H 1 noname 0.0635 33 H9 19.5556 -10.8657 -3.1745 H 1 noname 0.0629 34 H10 11.2504 -5.0585 -0.1324 H 1 noname 0.0270 35 H11 12.0915 -5.7825 -1.5234 H 1 noname 0.0270 36 H12 9.9244 -7.2936 0.2225 H 1 noname 0.0270 37 H13 10.7714 -8.0156 -1.1664 H 1 noname 0.0270 38 H14 20.3936 -9.1696 -4.6195 H 1 noname 0.0629 39 H15 16.5815 -5.8875 -2.5214 H 1 noname 0.0629 40 H16 20.3005 -6.8454 -5.4954 H 1 noname 0.0629 41 H17 17.4335 -4.1764 -3.9944 H 1 noname 0.0622 42 H18 19.2875 -4.6544 -5.4784 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 2 7 4 8 1 8 4 25 1 9 5 9 2 10 5 26 1 11 6 10 1 12 6 9 1 13 7 11 1 14 7 12 1 15 8 13 1 16 8 27 1 17 8 28 1 18 9 29 1 19 10 12 2 20 11 14 2 21 11 15 1 22 12 30 1 23 13 16 1 24 13 17 1 25 13 31 1 26 14 18 1 27 14 32 1 28 15 19 2 29 15 33 1 30 16 17 1 31 16 34 1 32 16 35 1 33 17 36 1 34 17 37 1 35 18 20 1 36 18 21 2 37 19 20 1 38 19 38 1 39 20 22 2 40 21 23 1 41 21 39 1 42 22 24 1 43 22 40 1 44 23 24 2 45 23 41 1 46 24 42 1 @SUBSTRUCTURE 1 noname 1