REMARK Name = BDB029645 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.285 -1.394 0.764 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.081 -2.133 1.201 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.189 -1.925 0.342 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -0.533 -0.498 0.233 0.00 0.00 -0.326 N ATOM 5 C LIG 1 0.559 0.460 0.482 0.00 0.00 +0.120 C ATOM 6 C LIG 1 1.915 -0.147 0.051 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.842 -0.079 0.075 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -2.288 1.209 0.401 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -3.554 1.679 0.262 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -4.466 0.821 -0.244 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -4.151 -0.478 -0.614 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -2.834 -0.918 -0.450 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -5.864 1.346 -0.397 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -6.881 0.429 -0.167 0.00 0.00 -0.305 N ATOM 15 H LIG 1 -6.645 -0.379 0.399 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.080 2.518 -0.685 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.263 0.867 -0.094 0.00 0.00 +0.102 C ATOM 18 C LIG 1 -9.209 -0.285 0.267 0.00 0.00 +0.135 C ATOM 19 C LIG 1 -10.576 0.285 -0.075 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -10.342 1.082 -1.355 0.00 0.00 +0.004 C ATOM 21 C LIG 1 -8.837 1.363 -1.423 0.00 0.00 +0.025 C BRANCH 18 22 ATOM 22 O LIG 1 -9.104 -0.660 1.632 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 -9.307 0.121 2.177 0.00 0.00 +0.210 HD ENDBRANCH 18 22 ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 3.172 -2.239 -0.051 0.00 0.00 +0.121 C BRANCH 24 34 ATOM 25 C LIG 1 9.072 0.521 -0.218 0.00 0.00 +0.019 A ATOM 26 C LIG 1 8.655 0.389 1.218 0.00 0.00 +0.252 A ATOM 27 O LIG 1 9.376 0.760 2.139 0.00 0.00 -0.268 OA ATOM 28 N LIG 1 7.426 -0.168 1.462 0.00 0.00 -0.321 N ATOM 29 H LIG 1 7.157 -0.245 2.433 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 6.574 -0.618 0.448 0.00 0.00 +0.068 A ATOM 31 C LIG 1 6.962 -0.510 -0.885 0.00 0.00 +0.088 A ATOM 32 N LIG 1 6.204 -0.921 -1.924 0.00 0.00 -0.253 NA ATOM 33 C LIG 1 5.003 -1.461 -1.611 0.00 0.00 +0.116 A ATOM 34 C LIG 1 4.519 -1.609 -0.311 0.00 0.00 -0.013 A ATOM 35 C LIG 1 5.338 -1.179 0.741 0.00 0.00 +0.034 A ATOM 36 C LIG 1 8.260 0.078 -1.195 0.00 0.00 +0.038 A BRANCH 25 38 ATOM 37 C LIG 1 10.417 2.639 -0.367 0.00 0.00 +0.009 C ATOM 38 C LIG 1 10.424 1.121 -0.490 0.00 0.00 +0.037 C ENDBRANCH 25 38 ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7