REMARK Name = BDB056156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.342 -0.136 -1.027 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -0.987 -0.163 0.414 0.00 0.00 +0.103 C ATOM 3 C LIG 1 0.426 0.370 0.748 0.00 0.00 +0.120 C ATOM 4 N LIG 1 1.447 -0.411 0.031 0.00 0.00 -0.327 N ATOM 5 C LIG 1 1.080 -0.826 -1.341 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.131 -0.025 -1.872 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.801 -0.175 0.269 0.00 0.00 +0.033 A ATOM 8 C LIG 1 3.756 -1.216 0.161 0.00 0.00 -0.029 A ATOM 9 C LIG 1 3.354 -2.638 -0.140 0.00 0.00 +0.045 C ATOM 10 C LIG 1 5.127 -0.948 0.355 0.00 0.00 +0.018 A ATOM 11 C LIG 1 5.566 0.337 0.684 0.00 0.00 +0.037 A ATOM 12 C LIG 1 4.629 1.354 0.845 0.00 0.00 +0.015 A ATOM 13 C LIG 1 3.269 1.098 0.637 0.00 0.00 +0.024 A BRANCH 11 14 ATOM 14 C LIG 1 7.004 0.656 0.903 0.00 0.00 +0.244 C ATOM 15 N LIG 1 7.912 -0.099 0.182 0.00 0.00 -0.308 N ATOM 16 H LIG 1 7.572 -0.717 -0.543 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 7.321 1.563 1.665 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 9.318 0.144 0.251 0.00 0.00 +0.073 C ATOM 19 C LIG 1 10.266 -0.553 -0.686 0.00 0.00 +0.024 C ATOM 20 C LIG 1 10.012 0.918 -0.835 0.00 0.00 +0.024 C ENDBRANCH 15 18 ENDBRANCH 11 14 ENDBRANCH 4 7 BRANCH 1 21 ATOM 21 C LIG 1 -2.295 0.933 -1.359 0.00 0.00 +0.119 C BRANCH 21 33 ATOM 22 C LIG 1 -5.668 1.487 0.367 0.00 0.00 +0.164 A ATOM 23 C LIG 1 -6.281 0.241 0.164 0.00 0.00 +0.184 A ATOM 24 O LIG 1 -7.574 0.082 0.604 0.00 0.00 -0.474 OA ATOM 25 C LIG 1 -7.957 -1.276 0.794 0.00 0.00 +0.256 C ATOM 26 C LIG 1 -7.464 -2.286 -0.254 0.00 0.00 +0.258 C ATOM 27 N LIG 1 -6.234 -1.992 -0.781 0.00 0.00 -0.279 N ATOM 28 H LIG 1 -5.819 -2.678 -1.396 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 -8.048 -3.324 -0.552 0.00 0.00 -0.271 OA ATOM 30 C LIG 1 -9.477 -1.315 0.895 0.00 0.00 +0.062 C ATOM 31 C LIG 1 -5.608 -0.768 -0.535 0.00 0.00 +0.080 A ATOM 32 C LIG 1 -4.325 -0.548 -1.030 0.00 0.00 +0.032 A ATOM 33 C LIG 1 -3.687 0.682 -0.812 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -4.371 1.696 -0.119 0.00 0.00 +0.054 A BRANCH 22 36 ATOM 35 C LIG 1 -5.846 3.711 1.221 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -6.408 2.418 1.049 0.00 0.00 -0.491 OA ENDBRANCH 22 36 ENDBRANCH 21 33 ENDBRANCH 1 21 TORSDOF 6