| # created with PyMOL 2.4.1 | |
| @<TRIPOS>MOLECULE | |
| 1a3b_T29_H_1 | |
| 34 35 1 | |
| SMALL | |
| USER_CHARGES | |
| @<TRIPOS>ATOM | |
| 1 C1 17.654 -11.132 11.665 C.3 1 T291 0.000 | |
| 2 N1A 18.429 -12.160 11.425 N.3 1 T291 0.000 | |
| 3 N1B 17.981 -9.949 10.948 N.3 1 T291 0.000 | |
| 4 O1A 14.630 -9.966 18.356 O.3 1 T291 0.000 | |
| 5 O1B 12.414 -10.338 18.254 O.3 1 T291 0.000 | |
| 6 S2 16.325 -10.815 12.825 S.3 1 T291 0.000 | |
| 7 C3 16.301 -12.333 13.687 C.3 1 T291 0.000 | |
| 8 C4 15.041 -12.309 14.557 C.3 1 T291 0.000 | |
| 9 C5 14.867 -11.046 15.369 C.3 1 T291 0.000 | |
| 10 C6 13.663 -11.318 16.340 C.3 1 T291 0.000 | |
| 11 N7 12.369 -11.237 15.555 N.3 1 T291 0.000 | |
| 12 C8 11.754 -12.533 15.352 C.3 1 T291 0.000 | |
| 13 O8 11.974 -13.597 15.952 O.3 1 T291 0.000 | |
| 14 C9 10.411 -12.445 14.653 C.3 1 T291 0.000 | |
| 15 C9A 9.207 -12.277 15.676 C.3 1 T291 0.000 | |
| 16 C9B 8.219 -13.499 15.383 C.3 1 T291 0.000 | |
| 17 C9C 8.962 -14.549 14.519 C.3 1 T291 0.000 | |
| 18 N10 10.051 -13.696 13.964 N.pl3 1 T291 0.000 | |
| 19 C11 11.039 -14.185 13.072 C.2 1 T291 0.000 | |
| 20 O11 12.081 -13.534 12.783 O.2 1 T291 0.000 | |
| 21 C12 10.837 -15.550 12.458 C.3 1 T291 0.000 | |
| 22 C13 10.529 -15.489 10.880 C.3 1 T291 0.000 | |
| 23 N14 12.072 -16.239 12.569 N.3 1 T291 0.000 | |
| 24 C15 12.011 -17.637 13.087 C.3 1 T291 0.000 | |
| 25 O15 10.948 -18.201 12.843 O.3 1 T291 0.000 | |
| 26 C16 12.588 -17.900 14.497 C.3 1 T291 0.000 | |
| 27 C17 14.120 -17.883 14.357 C.3 1 T291 0.000 | |
| 28 C21 9.043 -15.041 10.757 C.2 1 T291 0.000 | |
| 29 C22 8.757 -13.818 10.112 C.2 1 T291 0.000 | |
| 30 C23 7.446 -13.287 10.085 C.2 1 T291 0.000 | |
| 31 C24 6.382 -14.026 10.700 C.2 1 T291 0.000 | |
| 32 C25 6.667 -15.289 11.310 C.2 1 T291 0.000 | |
| 33 C26 7.972 -15.772 11.340 C.2 1 T291 0.000 | |
| 34 B 13.555 -10.261 17.448 B 1 T291 0.000 | |
| @<TRIPOS>BOND | |
| 1 1 6 1 | |
| 2 1 2 1 | |
| 3 1 3 1 | |
| 4 6 7 1 | |
| 5 7 8 1 | |
| 6 8 9 1 | |
| 7 9 10 1 | |
| 8 10 11 1 | |
| 9 10 34 1 | |
| 10 11 12 1 | |
| 11 12 13 1 | |
| 12 12 14 1 | |
| 13 14 15 1 | |
| 14 14 18 1 | |
| 15 15 16 1 | |
| 16 16 17 1 | |
| 17 17 18 1 | |
| 18 18 19 1 | |
| 19 19 20 2 | |
| 20 19 21 1 | |
| 21 21 22 1 | |
| 22 21 23 1 | |
| 23 22 28 1 | |
| 24 23 24 1 | |
| 25 24 25 1 | |
| 26 24 26 1 | |
| 27 26 27 1 | |
| 28 28 29 ar | |
| 29 28 33 ar | |
| 30 29 30 ar | |
| 31 30 31 ar | |
| 32 31 32 ar | |
| 33 32 33 ar | |
| 34 4 34 1 | |
| 35 5 34 1 | |
| @<TRIPOS>SUBSTRUCTURE | |
| 1 T291 1 GROUP 1 H T29 | |