REMARK Name = BDB011070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.114 1.736 0.249 0.00 0.00 +0.150 A ATOM 2 N LIG 1 -0.567 0.505 -0.093 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -1.448 -0.475 0.326 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.388 0.221 1.073 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -3.400 -0.347 1.743 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.426 -1.673 1.618 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.589 -2.450 0.892 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.585 -1.855 0.205 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.179 1.562 1.009 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.742 3.545 -1.560 0.00 0.00 +0.013 C ATOM 11 C LIG 1 -1.208 3.529 -1.543 0.00 0.00 +0.056 C ATOM 12 C LIG 1 -0.595 3.090 -0.197 0.00 0.00 +0.175 C ATOM 13 F LIG 1 0.762 3.015 -0.402 0.00 0.00 -0.233 F ATOM 14 C LIG 1 -0.797 4.147 0.892 0.00 0.00 +0.077 C ATOM 15 C LIG 1 -0.325 5.503 0.394 0.00 0.00 +0.163 C ATOM 16 O LIG 1 -0.969 5.847 -0.831 0.00 0.00 -0.379 OA ATOM 17 C LIG 1 -0.670 4.924 -1.876 0.00 0.00 +0.166 C ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -4.500 -2.400 2.332 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -4.582 -3.736 2.207 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.987 -4.337 1.663 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -5.629 -4.132 2.942 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -6.017 -5.282 3.071 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -6.192 -3.027 3.528 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -5.416 -1.902 3.098 0.00 0.00 -0.051 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 C LIG 1 -0.795 -2.732 -0.644 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -0.821 -2.630 -2.042 0.00 0.00 +0.033 A ATOM 27 C LIG 1 -0.056 -3.498 -2.816 0.00 0.00 +0.060 A ATOM 28 CL LIG 1 -0.059 -3.369 -4.527 0.00 0.00 -0.082 Cl ATOM 29 C LIG 1 0.708 -4.459 -2.175 0.00 0.00 +0.130 A ATOM 30 N LIG 1 0.748 -4.606 -0.830 0.00 0.00 -0.261 NA ATOM 31 C LIG 1 -0.013 -3.752 -0.103 0.00 0.00 +0.120 A ENDBRANCH 8 25 BRANCH 2 32 ATOM 32 C LIG 1 0.727 0.307 -0.726 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 1.932 0.422 0.236 0.00 0.00 +0.009 C ATOM 34 C LIG 1 3.257 0.369 -0.553 0.00 0.00 +0.005 C ATOM 35 C LIG 1 3.855 -1.035 -0.583 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.175 -1.558 0.830 0.00 0.00 -0.014 C ATOM 37 C LIG 1 5.647 -1.344 1.186 0.00 0.00 +0.007 C ATOM 38 C LIG 1 3.274 -0.931 1.907 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.884 -0.635 1.356 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 5