@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440885 40 43 1 SMALL USER_CHARGES @ATOM 1 N1 16.2563 -22.1577 0.0000 N.2 1 noname -0.2705 2 N2 17.3713 -22.7156 -0.3919 N.3 1 noname -0.0302 3 C1 15.2363 -22.9066 0.4960 C.2 1 noname 0.0556 4 C2 17.6032 -24.0326 -0.3409 C.2 1 noname -0.0061 5 C3 18.4712 -22.1596 -0.9119 C.2 1 noname 0.0137 6 N3 14.0782 -22.3326 0.8831 N.3 1 noname -0.1007 7 C4 15.4092 -24.3026 0.5881 C.2 1 noname 0.0278 8 N4 18.8272 -24.2915 -0.8208 N.2 1 noname -0.1617 9 C5 16.6162 -24.8885 0.1621 C.2 1 noname 0.0328 10 N5 19.3492 -23.1515 -1.1658 N.2 1 noname -0.1632 11 C6 18.6772 -20.7185 -1.1498 C.3 1 noname 0.0908 12 C7 13.8511 -20.9356 0.7801 C.3 1 noname -0.0014 13 C8 17.6241 -20.1854 -2.0408 C.2 1 noname -0.0238 14 C9 20.0802 -20.4184 -1.7178 C.3 1 noname -0.0513 15 C10 12.4461 -20.5965 1.2892 C.3 1 noname -0.0522 16 C11 16.6281 -19.2674 -1.7168 C.2 1 noname -0.0059 17 C12 17.3991 -20.5204 -3.3778 C.2 1 noname -0.1086 18 C13 15.8420 -19.0844 -2.8507 C.2 1 noname 0.0569 19 C14 16.3191 -18.5824 -0.5317 C.2 1 noname -0.0324 20 N6 16.3291 -19.8464 -3.8377 N.3 1 noname -0.0417 21 N7 14.7750 -18.2493 -2.8377 N.2 1 noname -0.2571 22 C15 15.2080 -17.7163 -0.5307 C.2 1 noname -0.0568 23 C16 14.4439 -17.5653 -1.7076 C.2 1 noname -0.0084 24 H1 13.3721 -22.8966 1.2341 H 1 noname 0.1296 25 H2 14.6622 -24.8906 0.9571 H 1 noname 0.0657 26 H3 16.7641 -25.8955 0.2132 H 1 noname 0.0661 27 H4 18.6081 -20.2245 -0.1798 H 1 noname 0.0431 28 H5 14.5861 -20.3945 1.3782 H 1 noname 0.0429 29 H6 13.9351 -20.6225 -0.2617 H 1 noname 0.0429 30 H7 20.2211 -20.9184 -2.6778 H 1 noname 0.0241 31 H8 20.8411 -20.7694 -1.0197 H 1 noname 0.0241 32 H9 20.2011 -19.3424 -1.8538 H 1 noname 0.0241 33 H10 12.2811 -19.5224 1.2012 H 1 noname 0.0243 34 H11 11.7010 -21.1245 0.6942 H 1 noname 0.0243 35 H12 12.3511 -20.8895 2.3352 H 1 noname 0.0243 36 H13 17.9561 -21.1814 -3.9207 H 1 noname 0.0792 37 H14 16.8780 -18.7104 0.3112 H 1 noname 0.0630 38 H15 15.9640 -19.9083 -4.7337 H 1 noname 0.1537 39 H16 14.9550 -17.2053 0.3153 H 1 noname 0.0639 40 H17 13.6378 -16.9402 -1.7116 H 1 noname 0.0839 @BOND 1 1 2 1 2 1 3 2 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 2 8 4 9 1 9 5 10 2 10 5 11 1 11 6 12 1 12 6 24 1 13 7 9 2 14 7 25 1 15 8 10 1 16 9 26 1 17 11 13 1 18 11 14 1 19 11 27 1 20 12 15 1 21 12 28 1 22 12 29 1 23 13 16 1 24 13 17 2 25 14 30 1 26 14 31 1 27 14 32 1 28 15 33 1 29 15 34 1 30 15 35 1 31 16 18 2 32 16 19 1 33 17 20 1 34 17 36 1 35 18 21 1 36 18 20 1 37 19 22 2 38 19 37 1 39 20 38 1 40 21 23 2 41 22 23 1 42 22 39 1 43 23 40 1 @SUBSTRUCTURE 1 noname 1