REMARK Name = BDB034646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.858 1.270 -1.097 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -1.474 0.313 -1.924 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -1.400 1.723 -0.084 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.874 -0.089 -1.653 0.00 0.00 +0.091 C ATOM 5 C LIG 1 -3.022 -0.881 -0.337 0.00 0.00 +0.038 C ATOM 6 C LIG 1 -4.409 -0.666 0.276 0.00 0.00 +0.093 C ATOM 7 C LIG 1 -4.643 0.831 0.556 0.00 0.00 +0.094 C ATOM 8 N LIG 1 -4.146 1.760 -0.473 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 -3.229 2.108 -0.147 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -3.885 1.091 -1.752 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 -4.592 -1.462 1.520 0.00 0.00 +0.232 A ATOM 12 O LIG 1 -5.880 -1.754 1.871 0.00 0.00 -0.338 OA ATOM 13 N LIG 1 -5.809 -2.494 3.053 0.00 0.00 -0.062 NA ATOM 14 C LIG 1 -4.493 -2.565 3.291 0.00 0.00 +0.169 A ATOM 15 C LIG 1 -3.937 -3.269 4.460 0.00 0.00 +0.091 C ATOM 16 N LIG 1 -3.703 -1.944 2.359 0.00 0.00 -0.196 NA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 18 ATOM 17 C LIG 1 1.482 1.782 -0.376 0.00 0.00 +0.059 A ATOM 18 C LIG 1 0.520 1.766 -1.399 0.00 0.00 +0.146 A ATOM 19 N LIG 1 0.726 2.235 -2.659 0.00 0.00 -0.248 NA ATOM 20 C LIG 1 1.967 2.702 -2.925 0.00 0.00 +0.115 A ATOM 21 C LIG 1 3.037 2.733 -2.026 0.00 0.00 -0.024 A ATOM 22 C LIG 1 2.754 2.245 -0.737 0.00 0.00 +0.030 A BRANCH 21 23 ATOM 23 C LIG 1 4.391 3.264 -2.456 0.00 0.00 +0.021 C ATOM 24 C LIG 1 5.669 2.638 -1.953 0.00 0.00 +0.009 C ATOM 25 C LIG 1 5.281 4.014 -1.495 0.00 0.00 +0.009 C ENDBRANCH 21 23 BRANCH 17 26 ATOM 26 N LIG 1 1.221 1.238 0.911 0.00 0.00 -0.339 N ATOM 27 H LIG 1 0.228 1.385 1.141 0.00 0.00 +0.146 HD BRANCH 26 30 ATOM 28 C LIG 1 2.240 -0.677 2.864 0.00 0.00 +0.121 C ATOM 29 C LIG 1 3.185 0.240 2.053 0.00 0.00 +0.054 C ATOM 30 C LIG 1 2.080 1.319 2.058 0.00 0.00 +0.075 C ATOM 31 C LIG 1 1.474 0.599 3.283 0.00 0.00 +0.054 C BRANCH 28 33 ATOM 32 C LIG 1 3.565 -2.581 3.564 0.00 0.00 +0.194 C ATOM 33 O LIG 1 2.840 -1.420 3.946 0.00 0.00 -0.380 OA ENDBRANCH 28 33 ENDBRANCH 26 30 ENDBRANCH 17 26 ENDBRANCH 1 18 BRANCH 2 34 ATOM 34 C LIG 1 -0.753 -0.451 -2.955 0.00 0.00 +0.111 C BRANCH 34 35 ATOM 35 C LIG 1 -0.393 -1.887 -2.525 0.00 0.00 +0.000 C ATOM 36 C LIG 1 0.574 -1.911 -1.340 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.220 -2.642 -3.708 0.00 0.00 +0.009 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9