REMARK Name = BDB010356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.092 -2.494 -0.559 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.444 -1.272 -0.581 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.721 -1.406 0.148 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.712 -2.738 0.539 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.686 -3.327 1.247 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.686 -2.492 1.523 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.793 -1.183 1.194 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.796 -0.592 0.503 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.398 -3.390 0.098 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.324 -3.565 0.909 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -3.506 -2.873 -0.447 0.00 0.00 +0.099 C ATOM 12 N LIG 1 -2.247 -2.703 -1.247 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -2.117 -3.701 -2.344 0.00 0.00 +0.136 C ATOM 14 C LIG 1 -2.777 -5.038 -1.991 0.00 0.00 +0.179 C ATOM 15 O LIG 1 -4.180 -4.929 -1.698 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -4.572 -3.612 -1.291 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 3.833 -3.035 2.285 0.00 0.00 +0.220 A ATOM 18 N LIG 1 4.873 -2.229 2.555 0.00 0.00 -0.269 N ATOM 19 H LIG 1 4.976 -1.265 2.287 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 5.763 -2.956 3.242 0.00 0.00 +0.440 A ATOM 21 O LIG 1 6.839 -2.561 3.661 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 5.260 -4.224 3.397 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 3.982 -4.234 2.748 0.00 0.00 -0.051 NA ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 N LIG 1 1.886 0.752 0.178 0.00 0.00 -0.324 N ATOM 25 H LIG 1 0.989 1.206 0.087 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 2.894 1.581 0.841 0.00 0.00 +0.072 C ATOM 27 C LIG 1 2.426 1.954 2.249 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 3.089 2.861 0.023 0.00 0.00 +0.009 C ATOM 29 C LIG 1 4.318 3.747 0.374 0.00 0.00 +0.005 C ATOM 30 C LIG 1 4.451 4.035 -1.134 0.00 0.00 +0.001 C ATOM 31 C LIG 1 3.737 2.691 -1.380 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 -0.851 -0.143 -1.399 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -2.022 0.692 -0.842 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -2.491 1.689 -1.922 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -3.283 2.841 -1.314 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -2.409 3.684 -0.370 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -3.284 4.408 0.654 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.310 2.851 0.314 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.722 1.393 0.498 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 7