REMARK Name = BDB045265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.195 0.163 -1.399 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.399 -0.213 -2.609 0.00 0.00 -0.295 N ATOM 3 O LIG 1 -0.381 0.860 -0.560 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 2.995 -1.652 0.311 0.00 0.00 +0.163 A ATOM 5 C LIG 1 4.107 -1.013 -0.260 0.00 0.00 +0.162 A ATOM 6 C LIG 1 3.936 0.046 -1.157 0.00 0.00 +0.050 A ATOM 7 C LIG 1 2.655 0.428 -1.550 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.553 -0.272 -1.052 0.00 0.00 +0.041 A ATOM 9 C LIG 1 1.712 -1.286 -0.101 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 5.403 -1.304 0.081 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 5.761 -2.647 -0.246 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 3.223 -2.638 1.234 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 2.393 -2.627 2.399 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 2.700 -1.467 3.341 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 4.163 -1.433 3.767 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 5.661 -0.283 5.179 0.00 0.00 +0.193 C ATOM 17 O LIG 1 4.309 -0.411 4.756 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 0.053 -1.262 -3.555 0.00 0.00 +0.070 C ATOM 19 C LIG 1 0.189 -2.647 -2.925 0.00 0.00 +0.028 C ATOM 20 C LIG 1 1.293 -0.870 -4.353 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 -1.745 0.336 -2.840 0.00 0.00 +0.115 C BRANCH 21 22 ATOM 22 C LIG 1 -2.817 -0.431 -2.058 0.00 0.00 +0.042 C ATOM 23 C LIG 1 -3.756 0.484 -1.270 0.00 0.00 +0.092 C ATOM 24 C LIG 1 -5.021 -0.382 -1.102 0.00 0.00 +0.103 C ATOM 25 N LIG 1 -4.875 -1.527 -2.023 0.00 0.00 -0.314 NA ATOM 26 H LIG 1 -5.752 -1.706 -2.516 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -3.797 -1.181 -2.947 0.00 0.00 +0.088 C BRANCH 23 28 ATOM 28 N LIG 1 -3.161 0.943 -0.028 0.00 0.00 -0.311 N ATOM 29 H LIG 1 -2.139 0.962 0.013 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 -3.849 1.776 0.826 0.00 0.00 +0.217 C ATOM 31 O LIG 1 -5.030 2.064 0.655 0.00 0.00 -0.276 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.022 2.287 2.005 0.00 0.00 +0.079 C ATOM 33 C LIG 1 -3.912 2.906 3.091 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -4.367 4.318 2.733 0.00 0.00 +0.160 C ATOM 35 O LIG 1 -3.247 5.142 2.410 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -2.550 4.657 1.265 0.00 0.00 +0.160 C ATOM 37 C LIG 1 -1.952 3.286 1.552 0.00 0.00 +0.041 C ENDBRANCH 30 32 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 12