REMARK Name = BDB029375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.196 -1.023 0.273 0.00 0.00 -0.018 A ATOM 2 C LIG 1 0.085 -0.395 -0.317 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.140 -1.065 -0.475 0.00 0.00 -0.033 A ATOM 4 C LIG 1 -1.243 -2.394 -0.044 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.153 -3.034 0.543 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.056 -2.353 0.700 0.00 0.00 +0.008 A ENDROOT BRANCH 1 15 ATOM 7 O LIG 1 8.216 0.505 -0.253 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 7.024 0.526 0.002 0.00 0.00 +0.222 C ATOM 9 N LIG 1 6.096 -0.437 -0.373 0.00 0.00 -0.285 N ATOM 10 H LIG 1 6.343 -1.258 -0.904 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 4.825 -0.113 0.075 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.867 1.092 0.771 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.719 1.629 1.316 0.00 0.00 +0.006 A ATOM 14 C LIG 1 2.522 0.922 1.144 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.471 -0.307 0.436 0.00 0.00 -0.016 A ATOM 16 C LIG 1 3.660 -0.828 -0.106 0.00 0.00 +0.032 A ATOM 17 C LIG 1 6.275 1.609 0.788 0.00 0.00 +0.133 C ENDBRANCH 1 15 BRANCH 3 18 ATOM 18 C LIG 1 -2.313 -0.374 -1.139 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 -3.561 -0.465 -0.367 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 -4.717 -0.105 -1.211 0.00 0.00 +0.100 C ATOM 21 C LIG 1 -5.940 0.359 -0.393 0.00 0.00 +0.096 C ATOM 22 N LIG 1 -5.692 1.569 0.408 0.00 0.00 -0.314 NA ATOM 23 H LIG 1 -5.955 2.396 -0.125 0.00 0.00 +0.122 HD ATOM 24 C LIG 1 -4.274 1.683 0.788 0.00 0.00 +0.096 C ATOM 25 C LIG 1 -3.531 0.332 0.879 0.00 0.00 +0.100 C ENDBRANCH 18 19 ENDBRANCH 3 18 TORSDOF 3