REMARK Name = BDB034227 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.752 -0.751 0.172 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.579 -0.675 0.471 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.609 -0.336 -0.413 0.00 0.00 +0.051 A ATOM 4 C LIG 1 2.909 -0.309 0.070 0.00 0.00 -0.015 A ATOM 5 C LIG 1 4.179 0.016 -0.642 0.00 0.00 +0.145 C ATOM 6 N LIG 1 5.193 -0.129 0.395 0.00 0.00 -0.279 N ATOM 7 C LIG 1 4.623 -0.500 1.612 0.00 0.00 +0.248 C ATOM 8 O LIG 1 5.168 -0.705 2.680 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 3.178 -0.612 1.399 0.00 0.00 +0.042 A ATOM 10 C LIG 1 2.187 -0.949 2.297 0.00 0.00 +0.017 A ATOM 11 C LIG 1 0.876 -0.978 1.817 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 6.640 0.104 0.145 0.00 0.00 +0.116 C ATOM 13 C LIG 1 7.057 0.532 -1.383 0.00 0.00 +0.243 C ATOM 14 O LIG 1 6.330 0.685 -2.363 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.421 0.730 -1.516 0.00 0.00 -0.254 N ATOM 16 H LIG 1 8.781 0.995 -2.421 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 9.318 0.576 -0.478 0.00 0.00 +0.223 C ATOM 18 O LIG 1 10.519 0.760 -0.657 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.614 0.159 0.866 0.00 0.00 +0.080 C ATOM 20 C LIG 1 7.354 1.023 1.209 0.00 0.00 +0.048 C ATOM 21 C LIG 1 7.597 -1.020 0.702 0.00 0.00 +0.048 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 23 ATOM 22 C LIG 1 -2.565 -1.201 -1.414 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -1.210 -0.469 -1.156 0.00 0.00 +0.190 C ATOM 24 C LIG 1 -1.351 1.048 -1.379 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -2.318 1.411 -2.508 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -2.460 0.295 -3.534 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -2.884 -1.048 -2.923 0.00 0.00 +0.022 C BRANCH 22 30 ATOM 28 C LIG 1 -5.078 -1.293 0.848 0.00 0.00 +0.050 C ATOM 29 C LIG 1 -3.553 -1.017 0.831 0.00 0.00 +0.094 C ATOM 30 N LIG 1 -3.681 -0.650 -0.607 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -4.892 -1.513 -0.676 0.00 0.00 +0.094 C BRANCH 28 36 ATOM 32 C LIG 1 -7.928 1.831 2.229 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -8.151 0.488 2.518 0.00 0.00 +0.057 A ATOM 34 C LIG 1 -7.242 -0.472 2.073 0.00 0.00 +0.128 A ATOM 35 F LIG 1 -7.492 -1.758 2.365 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -6.087 -0.153 1.337 0.00 0.00 -0.007 A ATOM 37 C LIG 1 -5.896 1.216 1.061 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -6.796 2.196 1.498 0.00 0.00 +0.019 A BRANCH 32 40 ATOM 39 N LIG 1 -9.601 3.638 3.040 0.00 0.00 -0.191 NA ATOM 40 C LIG 1 -8.852 2.830 2.678 0.00 0.00 +0.099 C ENDBRANCH 32 40 ENDBRANCH 28 36 ENDBRANCH 22 30 ENDBRANCH 1 23 TORSDOF 6