REMARK Name = BDB017434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.515 -0.417 -0.020 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.395 -0.115 1.349 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.115 0.041 1.897 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.946 -0.090 1.157 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.108 0.154 2.093 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.375 0.368 3.326 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.062 -0.422 -0.206 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.706 0.330 3.167 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.290 0.499 3.978 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.339 -0.579 -0.768 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 9.526 -0.769 -0.243 0.00 0.00 +0.120 A ATOM 12 C LIG 1 8.187 -0.840 -0.653 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.348 0.240 -0.426 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.898 0.495 -0.726 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.877 -0.621 -0.643 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.667 1.906 -0.234 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.859 2.341 0.322 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.971 3.266 0.705 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 4.634 2.547 -0.337 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.226 0.008 -1.977 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.863 1.379 0.207 0.00 0.00 +0.038 A ATOM 22 C LIG 1 9.173 1.485 0.623 0.00 0.00 +0.027 A ATOM 23 C LIG 1 10.012 0.390 0.393 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 11.627 -1.884 -0.136 0.00 0.00 +0.277 C ATOM 25 O LIG 1 10.258 -1.894 -0.517 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.520 0.152 1.847 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -2.134 0.527 0.712 0.00 0.00 +0.011 C BRANCH 27 28 ATOM 28 C LIG 1 -3.590 0.523 0.524 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -4.134 0.240 -0.723 0.00 0.00 +0.120 A ATOM 30 N LIG 1 -5.460 0.237 -1.008 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 -6.330 0.533 -0.018 0.00 0.00 +0.121 A ATOM 32 C LIG 1 -5.863 0.864 1.256 0.00 0.00 +0.044 A ATOM 33 C LIG 1 -4.492 0.860 1.528 0.00 0.00 +0.013 A BRANCH 31 34 ATOM 34 N LIG 1 -7.713 0.551 -0.279 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -8.469 -0.410 0.551 0.00 0.00 +0.122 C ATOM 36 C LIG 1 -9.987 -0.311 0.258 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -10.376 -0.418 -1.165 0.00 0.00 -0.302 NA ATOM 38 C LIG 1 -10.235 -1.785 -1.660 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -9.554 0.532 -1.952 0.00 0.00 +0.103 C ATOM 40 C LIG 1 -8.027 0.439 -1.719 0.00 0.00 +0.122 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 5