REMARK Name = BDB039413 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.119 -1.075 0.309 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -0.521 -2.367 0.280 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -1.772 -2.573 0.736 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -2.660 -1.613 1.212 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.857 -2.297 1.570 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -3.670 -3.639 1.315 0.00 0.00 +0.089 A ATOM 7 C LIG 1 -2.233 -0.270 1.233 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -2.404 -3.790 0.809 0.00 0.00 -0.324 N ATOM 9 C LIG 1 -0.928 -0.028 0.762 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.523 0.980 -0.618 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.207 -0.057 -1.484 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.907 -0.574 -2.333 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.828 -0.457 -1.181 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.390 0.288 -0.091 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.112 0.104 0.416 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.255 -0.842 -0.190 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.748 -1.587 -1.296 0.00 0.00 +0.011 A ATOM 18 C LIG 1 3.039 -1.401 -1.801 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.482 1.190 0.378 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.997 1.617 -0.597 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.771 1.546 -0.618 0.00 0.00 +0.219 C ATOM 22 N LIG 1 9.102 0.638 0.164 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.679 0.024 0.722 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.746 0.543 0.375 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.304 -0.206 1.246 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.869 1.513 -0.432 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.562 1.906 -1.736 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.924 2.504 -1.422 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -1.771 -5.055 0.389 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -1.917 -6.188 1.403 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -2.871 -6.879 0.558 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -2.651 -5.921 -0.508 0.00 0.00 +0.187 C ENDBRANCH 8 29 BRANCH 7 33 ATOM 33 C LIG 1 -3.094 0.875 1.718 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -4.239 1.155 0.839 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -5.190 2.062 1.502 0.00 0.00 +0.090 C ATOM 36 C LIG 1 -6.390 2.462 0.610 0.00 0.00 +0.029 C ATOM 37 C LIG 1 -6.343 1.703 -0.718 0.00 0.00 +0.014 C ATOM 38 C LIG 1 -5.016 2.074 -1.384 0.00 0.00 +0.029 C ATOM 39 C LIG 1 -5.017 3.590 -1.634 0.00 0.00 +0.164 C ATOM 40 O LIG 1 -5.167 4.327 -0.417 0.00 0.00 -0.379 OA ATOM 41 C LIG 1 -6.353 3.966 0.297 0.00 0.00 +0.164 C ATOM 42 C LIG 1 -3.826 1.669 -0.479 0.00 0.00 +0.090 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 5