REMARK Name = BDB039505 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.706 0.317 -0.242 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -0.675 1.650 -0.002 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -1.827 2.294 -0.273 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.002 1.740 -0.776 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.941 2.805 -0.895 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -3.325 3.963 -0.469 0.00 0.00 +0.089 A ATOM 7 C LIG 1 -3.017 0.356 -1.039 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -2.047 3.637 -0.097 0.00 0.00 -0.324 N ATOM 9 C LIG 1 -1.825 -0.341 -0.757 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.121 -1.165 0.557 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.283 -2.220 0.888 0.00 0.00 +0.248 C ATOM 12 O LIG 1 4.592 -3.327 1.283 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.910 -1.752 0.673 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.967 -0.463 0.154 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.799 0.220 -0.147 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.549 -0.402 0.075 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.537 -1.716 0.615 0.00 0.00 +0.011 A ATOM 18 C LIG 1 1.719 -2.404 0.914 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.388 -0.037 -0.006 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.307 -0.473 -1.070 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.230 -0.800 -0.581 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.322 -1.538 -1.298 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.581 -1.703 -2.262 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.971 -1.615 -1.045 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.186 -1.880 -1.952 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.561 -1.340 0.412 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.350 -0.142 0.931 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.839 -0.436 0.832 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -1.022 4.561 0.428 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -0.875 5.848 -0.380 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -1.504 6.629 0.667 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -1.525 5.474 1.544 0.00 0.00 +0.187 C ENDBRANCH 8 29 BRANCH 7 33 ATOM 33 C LIG 1 -4.210 -0.392 -1.593 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -4.692 -1.450 -0.689 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -5.669 -2.311 -1.357 0.00 0.00 +0.087 C ATOM 36 C LIG 1 -5.946 -3.559 -0.512 0.00 0.00 +0.046 C ATOM 37 C LIG 1 -5.903 -3.275 0.991 0.00 0.00 +0.117 C ATOM 38 C LIG 1 -6.227 -1.818 1.276 0.00 0.00 +0.046 C ATOM 39 C LIG 1 -5.241 -0.888 0.562 0.00 0.00 +0.087 C BRANCH 37 40 ATOM 40 O LIG 1 -6.838 -4.109 1.670 0.00 0.00 -0.392 OA ATOM 41 H LIG 1 -6.570 -5.031 1.511 0.00 0.00 +0.210 HD ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 6