REMARK Name = BDB027150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.875 -0.445 -1.836 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.168 0.005 -3.109 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.313 1.293 -3.647 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.358 1.658 -4.816 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.169 0.738 -5.476 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.302 -0.554 -4.974 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.633 -0.920 -3.805 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.174 0.721 -0.859 0.00 0.00 +0.188 C ATOM 9 O LIG 1 -2.229 1.358 -0.965 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 3.705 0.513 1.552 0.00 0.00 +0.003 A ATOM 11 C LIG 1 2.727 1.179 2.199 0.00 0.00 +0.121 A ATOM 12 N LIG 1 1.452 1.310 1.653 0.00 0.00 -0.239 N ATOM 13 C LIG 1 1.092 0.755 0.416 0.00 0.00 +0.077 A ATOM 14 C LIG 1 -0.246 1.052 0.216 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -0.589 1.823 1.350 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.124 0.083 -0.300 0.00 0.00 +0.029 A ATOM 17 N LIG 1 0.408 1.960 2.219 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.353 -0.032 0.236 0.00 0.00 +0.012 A BRANCH 10 23 ATOM 19 C LIG 1 8.271 -1.135 2.572 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.043 -0.379 2.547 0.00 0.00 -0.274 N ATOM 21 N LIG 1 6.908 0.689 3.351 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 5.679 1.135 3.078 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.022 0.355 2.097 0.00 0.00 +0.021 A ATOM 24 C LIG 1 5.942 -0.621 1.775 0.00 0.00 +0.116 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.146 -1.116 -2.207 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.904 -0.442 -2.055 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.411 -2.361 -1.484 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -2.532 -2.292 0.051 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -3.561 -1.345 0.626 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.790 -1.100 0.000 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.718 -0.221 0.568 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -5.434 0.414 1.781 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -4.232 0.138 2.438 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -3.305 -0.736 1.865 0.00 0.00 +0.004 A BRANCH 32 35 ATOM 35 C LIG 1 -6.389 1.358 2.417 0.00 0.00 +0.242 C ATOM 36 O LIG 1 -6.379 1.574 3.622 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -7.259 2.017 1.593 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -7.077 2.103 0.603 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -7.790 2.761 2.029 0.00 0.00 +0.145 HD ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9