REMARK Name = BDB034190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.314 -2.195 0.917 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.797 -1.478 1.240 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -1.938 -1.575 0.439 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.074 -0.893 0.839 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -4.403 -0.782 0.172 0.00 0.00 +0.144 C ATOM 6 N LIG 1 -5.175 0.002 1.129 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -4.397 0.444 2.190 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -4.718 1.191 3.094 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -3.073 -0.165 2.028 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -1.974 -0.096 2.862 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -0.826 -0.783 2.463 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 -6.469 0.599 0.822 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -6.358 1.718 -0.227 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -5.300 2.211 -0.611 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -7.556 2.153 -0.749 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -7.472 2.876 -1.451 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -8.707 1.412 -0.829 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -9.590 1.699 -1.631 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.831 0.251 0.129 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -7.488 -0.430 0.343 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 1.988 -0.294 0.630 0.00 0.00 +0.097 C ATOM 22 C LIG 1 1.302 -1.579 0.060 0.00 0.00 +0.190 C ATOM 23 C LIG 1 0.897 -1.492 -1.422 0.00 0.00 +0.046 C ATOM 24 C LIG 1 0.263 -0.169 -1.844 0.00 0.00 +0.004 C ATOM 25 C LIG 1 1.049 1.035 -1.348 0.00 0.00 +0.002 C ATOM 26 C LIG 1 1.240 0.977 0.164 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 5.359 -0.136 0.959 0.00 0.00 +0.048 C ATOM 28 C LIG 1 4.257 -1.222 0.847 0.00 0.00 +0.094 C ATOM 29 N LIG 1 3.400 -0.213 0.164 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 4.155 0.843 0.900 0.00 0.00 +0.094 C BRANCH 27 35 ATOM 31 C LIG 1 8.507 0.334 -2.174 0.00 0.00 +0.053 A ATOM 32 C LIG 1 8.578 1.067 -0.991 0.00 0.00 +0.039 A ATOM 33 C LIG 1 7.586 0.915 -0.014 0.00 0.00 +0.046 A ATOM 34 CL LIG 1 7.732 1.879 1.417 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 6.494 0.030 -0.170 0.00 0.00 -0.023 A ATOM 36 C LIG 1 6.457 -0.683 -1.388 0.00 0.00 +0.006 A ATOM 37 C LIG 1 7.441 -0.540 -2.373 0.00 0.00 +0.019 A BRANCH 31 39 ATOM 38 N LIG 1 10.336 0.604 -3.992 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 9.517 0.484 -3.179 0.00 0.00 +0.099 C ENDBRANCH 31 39 ENDBRANCH 27 35 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6