REMARK Name = BDB062706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.719 -1.368 0.959 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.775 -0.449 1.410 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.812 0.070 2.522 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.334 -0.099 0.472 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.183 0.964 0.812 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.252 1.318 -0.020 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.469 0.576 -1.189 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.633 -0.497 -1.536 0.00 0.00 -0.009 A ATOM 9 C LIG 1 -0.541 -0.831 -0.713 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.383 -1.983 -1.019 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.772 -1.719 -0.452 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.948 -1.249 -2.730 0.00 0.00 +0.044 A ATOM 13 C LIG 1 -2.512 -2.537 -2.910 0.00 0.00 +0.088 A ATOM 14 C LIG 1 -2.962 -3.503 -1.883 0.00 0.00 +0.070 C ATOM 15 N LIG 1 -2.610 -2.844 -4.210 0.00 0.00 -0.083 NA ATOM 16 O LIG 1 -2.134 -1.739 -4.895 0.00 0.00 -0.362 OA ATOM 17 C LIG 1 -1.747 -0.790 -4.007 0.00 0.00 +0.239 A ENDBRANCH 8 12 BRANCH 1 18 ATOM 18 C LIG 1 2.898 -1.632 1.778 0.00 0.00 +0.143 C BRANCH 18 23 ATOM 19 C LIG 1 6.195 -0.460 0.248 0.00 0.00 +0.124 A ATOM 20 C LIG 1 6.228 0.869 0.670 0.00 0.00 +0.091 A ATOM 21 C LIG 1 5.195 1.395 1.454 0.00 0.00 +0.124 A ATOM 22 C LIG 1 4.123 0.580 1.819 0.00 0.00 +0.051 A ATOM 23 C LIG 1 4.073 -0.760 1.405 0.00 0.00 -0.023 A ATOM 24 C LIG 1 5.116 -1.267 0.617 0.00 0.00 +0.051 A BRANCH 19 26 ATOM 25 C LIG 1 8.267 -0.311 -0.905 0.00 0.00 +0.277 C ATOM 26 O LIG 1 7.137 -1.086 -0.522 0.00 0.00 -0.495 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 5.352 2.712 1.794 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 4.322 3.297 2.583 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 23 ENDBRANCH 1 18 BRANCH 6 29 ATOM 29 C LIG 1 -3.186 2.447 0.355 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -4.426 1.938 0.897 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -5.588 1.767 0.141 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -5.747 2.058 -1.100 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -6.701 1.822 -1.376 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -6.504 1.207 1.039 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -7.831 0.764 0.696 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -5.889 1.018 2.271 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -4.629 1.465 2.186 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 7