REMARK Name = BDB034644 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.053 -2.227 -0.223 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -0.936 -1.593 0.550 0.00 0.00 +0.267 C ATOM 3 O LIG 1 -0.671 -0.722 1.384 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 6 ATOM 4 C LIG 1 3.403 -0.313 0.050 0.00 0.00 +0.091 C ATOM 5 C LIG 1 1.899 -0.501 -0.233 0.00 0.00 +0.037 C ATOM 6 C LIG 1 1.476 -1.951 0.061 0.00 0.00 +0.091 C ATOM 7 C LIG 1 1.904 -2.358 1.494 0.00 0.00 +0.103 C ATOM 8 N LIG 1 3.346 -2.162 1.727 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 3.869 -2.768 1.097 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 3.712 -0.759 1.487 0.00 0.00 +0.093 C BRANCH 4 13 ATOM 11 C LIG 1 5.602 2.854 -0.302 0.00 0.00 +0.101 C ATOM 12 N LIG 1 5.180 1.434 -0.267 0.00 0.00 -0.294 N ATOM 13 C LIG 1 3.826 1.143 -0.155 0.00 0.00 +0.220 C ATOM 14 O LIG 1 2.978 2.036 -0.215 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 6.287 0.466 -0.230 0.00 0.00 +0.136 C ATOM 16 C LIG 1 7.354 0.793 -1.281 0.00 0.00 +0.179 C ATOM 17 O LIG 1 7.798 2.151 -1.171 0.00 0.00 -0.376 OA ATOM 18 C LIG 1 6.698 3.051 -1.371 0.00 0.00 +0.182 C BRANCH 11 20 ATOM 19 C LIG 1 5.025 3.301 2.156 0.00 0.00 +0.006 C ATOM 20 C LIG 1 6.098 3.342 1.077 0.00 0.00 +0.021 C ENDBRANCH 11 20 ENDBRANCH 4 13 ENDBRANCH 1 6 BRANCH 2 21 ATOM 21 C LIG 1 -2.382 -1.938 0.380 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -3.332 -0.906 0.292 0.00 0.00 +0.059 A ATOM 23 C LIG 1 -4.665 -1.309 0.138 0.00 0.00 +0.030 A ATOM 24 C LIG 1 -5.046 -2.663 0.146 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -3.999 -3.576 0.295 0.00 0.00 +0.115 A ATOM 26 N LIG 1 -2.689 -3.264 0.410 0.00 0.00 -0.248 NA BRANCH 24 27 ATOM 27 C LIG 1 -6.477 -3.145 0.006 0.00 0.00 +0.021 C ATOM 28 C LIG 1 -7.456 -2.434 -0.897 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -7.628 -2.364 0.593 0.00 0.00 +0.009 C ENDBRANCH 24 27 BRANCH 22 30 ATOM 30 N LIG 1 -2.959 0.464 0.238 0.00 0.00 -0.339 N ATOM 31 H LIG 1 -2.054 0.590 0.715 0.00 0.00 +0.146 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.842 1.580 0.402 0.00 0.00 +0.075 C ATOM 33 C LIG 1 -3.097 2.930 0.416 0.00 0.00 +0.054 C ATOM 34 C LIG 1 -4.013 3.351 1.591 0.00 0.00 +0.121 C ATOM 35 C LIG 1 -4.221 1.844 1.874 0.00 0.00 +0.054 C BRANCH 34 36 ATOM 36 O LIG 1 -5.192 4.100 1.214 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -6.012 4.541 2.288 0.00 0.00 +0.194 C ENDBRANCH 34 36 ENDBRANCH 30 32 ENDBRANCH 22 30 ENDBRANCH 2 21 BRANCH 1 38 ATOM 38 C LIG 1 -0.240 -3.046 -1.409 0.00 0.00 +0.111 C BRANCH 38 39 ATOM 39 C LIG 1 0.013 -2.317 -2.744 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -0.158 -3.294 -3.909 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -0.924 -1.122 -2.930 0.00 0.00 +0.009 C ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 10