REMARK Name = BDB052330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.641 5.775 -2.253 0.00 0.00 -0.271 N ATOM 2 N LIG 1 1.207 4.573 -2.440 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 0.898 3.877 -1.333 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.092 4.665 -0.447 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.035 5.886 -1.075 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -0.526 4.358 0.828 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -1.288 3.182 0.985 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.776 2.916 2.261 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -2.438 1.720 2.221 0.00 0.00 -0.342 N ATOM 10 H LIG 1 -2.854 1.273 3.025 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -2.401 1.199 0.948 0.00 0.00 +0.032 A ATOM 12 N LIG 1 -1.634 3.668 3.368 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.931 4.801 3.151 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -1.732 2.113 0.155 0.00 0.00 +0.034 A ATOM 15 C LIG 1 -0.365 5.186 1.944 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -2.993 -0.126 0.617 0.00 0.00 +0.134 C BRANCH 16 17 ATOM 17 N LIG 1 -2.329 -1.143 1.429 0.00 0.00 -0.309 NA ATOM 18 H LIG 1 -1.324 -1.077 1.261 0.00 0.00 +0.122 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.782 -2.503 1.098 0.00 0.00 +0.096 C BRANCH 19 20 ATOM 20 C LIG 1 -2.131 -3.093 -0.179 0.00 0.00 +0.099 C BRANCH 20 21 ATOM 21 N LIG 1 -2.584 -4.463 -0.504 0.00 0.00 -0.307 NA ATOM 22 C LIG 1 -2.110 -5.438 0.483 0.00 0.00 +0.104 C ATOM 23 C LIG 1 -2.083 -4.842 -1.831 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 24 ATOM 24 C LIG 1 1.352 2.497 -1.163 0.00 0.00 +0.003 A ATOM 25 C LIG 1 1.906 2.064 0.046 0.00 0.00 +0.012 A ATOM 26 C LIG 1 2.241 0.718 0.230 0.00 0.00 +0.024 A ATOM 27 C LIG 1 2.029 -0.215 -0.790 0.00 0.00 +0.035 A ATOM 28 C LIG 1 1.503 0.221 -2.007 0.00 0.00 +0.024 A ATOM 29 C LIG 1 1.179 1.570 -2.197 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 N LIG 1 2.322 -1.560 -0.499 0.00 0.00 -0.269 N ATOM 31 H LIG 1 2.761 -1.744 0.393 0.00 0.00 +0.156 HD ATOM 32 C LIG 1 2.302 -2.629 -1.352 0.00 0.00 +0.308 C ATOM 33 N LIG 1 2.430 -3.866 -0.778 0.00 0.00 -0.269 N ATOM 34 H LIG 1 2.653 -4.565 -1.477 0.00 0.00 +0.156 HD ATOM 35 O LIG 1 2.234 -2.571 -2.579 0.00 0.00 -0.252 OA BRANCH 33 36 ATOM 36 C LIG 1 2.174 -4.340 0.523 0.00 0.00 +0.035 A ATOM 37 C LIG 1 2.599 -5.644 0.814 0.00 0.00 +0.023 A ATOM 38 C LIG 1 2.340 -6.215 2.062 0.00 0.00 +0.002 A ATOM 39 C LIG 1 1.660 -5.489 3.037 0.00 0.00 +0.000 A ATOM 40 C LIG 1 1.223 -4.199 2.755 0.00 0.00 +0.002 A ATOM 41 C LIG 1 1.468 -3.631 1.500 0.00 0.00 +0.023 A ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 3 24 BRANCH 1 43 ATOM 42 C LIG 1 2.068 7.563 -3.166 0.00 0.00 +0.029 C ATOM 43 C LIG 1 0.765 6.793 -3.279 0.00 0.00 +0.140 C ENDBRANCH 1 43 TORSDOF 10