REMARK Name = BDB006178 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.486 -0.076 -0.440 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -2.121 -1.346 0.029 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -1.154 -2.309 0.417 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -1.327 -3.487 0.692 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.108 -1.605 0.362 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.368 -1.944 0.568 0.00 0.00 -0.160 NA ATOM 7 N LIG 1 2.092 -0.791 0.324 0.00 0.00 -0.219 N ATOM 8 C LIG 1 1.228 0.165 -0.308 0.00 0.00 +0.055 A ATOM 9 C LIG 1 -0.049 -0.325 -0.138 0.00 0.00 +0.032 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.476 -0.629 0.678 0.00 0.00 +0.144 A ATOM 11 N LIG 1 4.354 -1.727 0.719 0.00 0.00 -0.281 N ATOM 12 C LIG 1 3.927 -3.050 0.260 0.00 0.00 +0.155 C ATOM 13 C LIG 1 5.673 -1.632 1.173 0.00 0.00 +0.333 A ATOM 14 O LIG 1 6.432 -2.603 1.210 0.00 0.00 -0.246 OA ATOM 15 N LIG 1 6.101 -0.374 1.569 0.00 0.00 -0.264 N ATOM 16 C LIG 1 7.476 -0.247 2.014 0.00 0.00 +0.157 C ATOM 17 C LIG 1 5.341 0.761 1.458 0.00 0.00 +0.258 A ATOM 18 O LIG 1 5.731 1.905 1.677 0.00 0.00 -0.267 OA ATOM 19 C LIG 1 3.949 0.570 1.048 0.00 0.00 +0.117 A ENDBRANCH 7 10 BRANCH 1 22 ATOM 20 C LIG 1 -2.967 2.189 -1.748 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -2.620 2.211 -0.283 0.00 0.00 -0.044 A ATOM 22 C LIG 1 -1.923 1.148 0.346 0.00 0.00 -0.019 A ATOM 23 C LIG 1 -1.683 1.240 1.737 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -2.082 2.356 2.474 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.739 3.400 1.839 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -3.232 4.779 2.741 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -3.011 3.331 0.475 0.00 0.00 +0.023 A ENDBRANCH 1 22 BRANCH 2 28 ATOM 28 C LIG 1 -3.310 -1.770 -0.620 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -4.574 -1.346 -0.173 0.00 0.00 -0.029 A ATOM 30 C LIG 1 -4.774 -0.519 1.067 0.00 0.00 +0.045 C ATOM 31 C LIG 1 -5.715 -1.722 -0.903 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -5.608 -2.537 -2.031 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -4.357 -2.986 -2.438 0.00 0.00 +0.043 A ATOM 34 CL LIG 1 -4.222 -3.993 -3.826 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -3.212 -2.611 -1.741 0.00 0.00 +0.043 A ENDBRANCH 2 28 BRANCH 8 36 ATOM 36 C LIG 1 1.714 1.363 -1.090 0.00 0.00 +0.032 C ATOM 37 C LIG 1 1.261 2.683 -0.468 0.00 0.00 +0.014 C ATOM 38 C LIG 1 1.263 1.278 -2.552 0.00 0.00 +0.014 C ENDBRANCH 8 36 TORSDOF 4