REMARK Name = BDB034229 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.263 1.440 -0.834 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.251 1.095 0.094 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -2.346 0.369 -0.351 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.529 -0.128 0.410 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -4.320 -0.809 -0.606 0.00 0.00 -0.279 N ATOM 6 C LIG 1 -3.706 -0.744 -1.855 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.084 -1.200 -2.918 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.457 0.003 -1.687 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -1.506 0.337 -2.630 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -0.401 1.068 -2.188 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.614 -1.478 -0.305 0.00 0.00 +0.116 C ATOM 12 C LIG 1 -6.125 -1.411 1.252 0.00 0.00 +0.243 C ATOM 13 O LIG 1 -5.583 -0.873 2.217 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.332 -2.064 1.434 0.00 0.00 -0.254 N ATOM 15 H LIG 1 -7.736 -2.079 2.360 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.023 -2.688 0.415 0.00 0.00 +0.223 C ATOM 17 O LIG 1 -9.096 -3.245 0.634 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.277 -2.580 -0.967 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -6.785 -1.133 -1.303 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -5.755 -2.937 -0.888 0.00 0.00 +0.048 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 O LIG 1 0.871 2.156 -0.568 0.00 0.00 -0.487 OA BRANCH 21 23 ATOM 22 C LIG 1 2.832 2.406 0.854 0.00 0.00 +0.097 C ATOM 23 C LIG 1 1.276 2.344 0.800 0.00 0.00 +0.190 C ATOM 24 C LIG 1 0.671 3.662 1.324 0.00 0.00 +0.046 C ATOM 25 C LIG 1 1.560 4.890 1.100 0.00 0.00 +0.004 C ATOM 26 C LIG 1 2.436 4.752 -0.136 0.00 0.00 +0.002 C ATOM 27 C LIG 1 3.376 3.544 -0.047 0.00 0.00 +0.022 C BRANCH 22 30 ATOM 28 C LIG 1 4.807 -0.053 -0.423 0.00 0.00 +0.047 C ATOM 29 C LIG 1 4.895 1.036 0.682 0.00 0.00 +0.094 C ATOM 30 N LIG 1 3.422 1.059 0.722 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 3.359 0.474 -0.630 0.00 0.00 +0.094 C BRANCH 28 35 ATOM 32 C LIG 1 5.445 -4.319 0.670 0.00 0.00 +0.052 A ATOM 33 C LIG 1 6.164 -3.738 -0.375 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.954 -2.395 -0.709 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.027 -1.586 -0.021 0.00 0.00 -0.042 A ATOM 36 C LIG 1 4.319 -2.207 1.028 0.00 0.00 +0.005 A ATOM 37 C LIG 1 4.520 -3.549 1.373 0.00 0.00 +0.019 A BRANCH 32 39 ATOM 38 N LIG 1 5.828 -6.806 1.298 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 5.656 -5.693 1.017 0.00 0.00 +0.099 C ENDBRANCH 32 39 ENDBRANCH 28 35 ENDBRANCH 22 30 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6