REMARK Name = BDB039397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.342 -0.819 5.003 0.00 0.00 +0.150 C ATOM 2 N LIG 1 2.219 -1.060 3.882 0.00 0.00 -0.335 N ATOM 3 C LIG 1 1.799 -1.164 2.580 0.00 0.00 +0.141 A ATOM 4 C LIG 1 2.920 -1.401 1.791 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.732 -1.544 0.402 0.00 0.00 -0.021 A ATOM 6 C LIG 1 1.405 -1.429 -0.056 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.352 -1.191 0.833 0.00 0.00 +0.074 A ATOM 8 C LIG 1 4.040 -1.426 2.669 0.00 0.00 +0.029 A ATOM 9 N LIG 1 0.521 -1.049 2.170 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 3.579 -1.216 3.951 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.047 -1.053 0.368 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.906 -0.110 0.976 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -3.210 0.018 0.526 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -4.288 0.941 0.981 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -5.425 0.529 0.167 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -5.069 -0.415 -0.779 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -5.735 -0.860 -1.692 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -3.673 -0.777 -0.514 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -2.881 -1.718 -1.139 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -1.564 -1.853 -0.686 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -6.672 1.286 0.182 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -6.729 2.234 -1.016 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -5.896 3.126 -1.186 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -7.726 2.027 -1.933 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -7.738 2.659 -2.721 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -8.626 0.996 -1.997 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -9.434 0.931 -2.922 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -8.562 -0.051 -0.916 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.944 0.463 0.371 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 3.859 -1.796 -0.574 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 4.736 -0.630 -0.761 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 4.028 0.508 -1.369 0.00 0.00 +0.085 C ATOM 33 C LIG 1 4.964 1.527 -2.033 0.00 0.00 +0.027 C ATOM 34 C LIG 1 6.334 1.546 -1.353 0.00 0.00 +0.096 C ATOM 35 C LIG 1 6.971 0.146 -1.411 0.00 0.00 +0.027 C ATOM 36 C LIG 1 5.938 -0.982 -1.513 0.00 0.00 +0.085 C BRANCH 34 37 ATOM 37 C LIG 1 7.245 2.588 -1.969 0.00 0.00 +0.393 C ATOM 38 F LIG 1 7.458 2.348 -3.281 0.00 0.00 -0.170 F ATOM 39 F LIG 1 6.713 3.825 -1.860 0.00 0.00 -0.170 F ATOM 40 F LIG 1 8.448 2.608 -1.354 0.00 0.00 -0.170 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 5