REMARK Name = BDB010411 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.716 -0.667 -0.129 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.499 -0.664 0.554 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.407 -1.272 1.797 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.866 -1.263 2.278 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.572 -0.640 1.365 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.438 -1.836 2.446 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.579 -1.736 1.751 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.764 -0.147 0.354 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.761 -1.201 0.530 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.769 -2.314 2.415 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.634 -2.869 3.631 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.788 -2.947 4.173 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.844 -3.311 3.995 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.117 -3.878 5.040 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.733 -3.020 2.989 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.980 -2.361 1.963 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 2.922 -0.467 1.353 0.00 0.00 -0.294 N ATOM 18 C LIG 1 3.690 -1.666 0.908 0.00 0.00 +0.106 C ATOM 19 C LIG 1 4.944 -1.716 1.803 0.00 0.00 +0.029 C ATOM 20 C LIG 1 4.978 -0.365 2.495 0.00 0.00 +0.021 C ATOM 21 C LIG 1 3.502 -0.036 2.637 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 3.989 -1.582 -0.578 0.00 0.00 -0.027 A ATOM 23 C LIG 1 4.860 -0.619 -1.113 0.00 0.00 +0.005 A ATOM 24 C LIG 1 5.098 -0.556 -2.487 0.00 0.00 +0.000 A ATOM 25 C LIG 1 4.466 -1.450 -3.348 0.00 0.00 +0.000 A ATOM 26 C LIG 1 3.592 -2.406 -2.836 0.00 0.00 +0.000 A ATOM 27 C LIG 1 3.352 -2.470 -1.462 0.00 0.00 +0.005 A ENDBRANCH 18 22 ENDBRANCH 5 17 BRANCH 1 28 ATOM 28 N LIG 1 -1.864 -0.164 -1.409 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -1.056 -0.368 -1.984 0.00 0.00 +0.148 HD BRANCH 28 31 ATOM 30 C LIG 1 -4.263 0.488 -1.521 0.00 0.00 +0.028 C ATOM 31 C LIG 1 -3.118 -0.287 -2.166 0.00 0.00 +0.072 C BRANCH 31 32 ATOM 32 C LIG 1 -3.452 -1.733 -2.549 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -4.544 -1.942 -3.640 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -4.863 -3.288 -2.959 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -4.315 -2.674 -1.655 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 1 28 BRANCH 8 36 ATOM 36 C LIG 1 1.191 0.770 -0.685 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 1.007 2.280 -0.407 0.00 0.00 +0.009 C ATOM 38 C LIG 1 1.803 2.762 0.814 0.00 0.00 +0.005 C ATOM 39 C LIG 1 1.675 4.272 1.013 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.207 4.703 1.125 0.00 0.00 -0.014 C ATOM 41 C LIG 1 0.100 6.219 1.276 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -0.594 4.221 -0.090 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -0.462 2.711 -0.293 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 8