REMARK Name = BDB019093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.907 -0.120 -0.160 0.00 0.00 +0.026 A ATOM 2 C LIG 1 0.075 -0.445 -1.263 0.00 0.00 +0.078 A ATOM 3 N LIG 1 -1.267 -0.167 -1.135 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -1.854 -0.494 -2.329 0.00 0.00 +0.206 A ATOM 5 N LIG 1 -0.994 -1.026 -3.172 0.00 0.00 -0.243 NA ATOM 6 C LIG 1 -1.827 0.379 0.032 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.056 0.697 1.039 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 0.213 -0.998 -2.515 0.00 0.00 +0.139 A ATOM 9 C LIG 1 0.297 0.441 0.909 0.00 0.00 +0.125 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.171 -0.665 -0.074 0.00 0.00 -0.033 A ATOM 11 C LIG 1 4.347 -1.349 0.832 0.00 0.00 +0.005 A ATOM 12 C LIG 1 2.961 -1.172 0.808 0.00 0.00 +0.009 A ATOM 13 C LIG 1 2.371 -0.308 -0.123 0.00 0.00 -0.014 A ATOM 14 C LIG 1 3.189 0.368 -1.035 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.576 0.191 -1.010 0.00 0.00 +0.005 A BRANCH 10 16 ATOM 16 C LIG 1 6.674 -0.858 -0.049 0.00 0.00 +0.119 C BRANCH 16 18 ATOM 17 C LIG 1 7.375 1.446 0.387 0.00 0.00 +0.104 C ATOM 18 N LIG 1 7.449 0.051 0.807 0.00 0.00 -0.304 NA ATOM 19 C LIG 1 7.146 -0.089 2.227 0.00 0.00 +0.104 C ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 N LIG 1 -3.184 0.600 0.124 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -3.333 1.221 0.919 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -4.067 -0.551 0.285 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -5.478 -0.071 0.517 0.00 0.00 -0.020 A ATOM 24 C LIG 1 -6.415 0.122 -0.526 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -7.689 0.584 -0.211 0.00 0.00 +0.135 A ATOM 26 O LIG 1 -8.445 0.704 -1.337 0.00 0.00 -0.463 OA ATOM 27 C LIG 1 -7.664 0.327 -2.381 0.00 0.00 +0.196 A ATOM 28 C LIG 1 -8.122 0.882 1.078 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -7.194 0.699 2.103 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -6.413 -0.037 -1.941 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -5.903 0.237 1.831 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 6