REMARK Name = BDB025265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.067 0.180 -0.185 0.00 0.00 -0.313 N ATOM 2 C LIG 1 -0.547 -1.062 0.158 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -1.934 -1.012 0.125 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.631 -2.192 0.435 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.883 -3.325 0.753 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -0.499 -3.236 0.755 0.00 0.00 +0.113 A ATOM 7 C LIG 1 -2.299 0.321 -0.233 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -3.540 0.969 -0.413 0.00 0.00 +0.026 A ATOM 9 C LIG 1 -3.560 2.320 -0.764 0.00 0.00 +0.019 A ATOM 10 BR LIG 1 -5.222 3.192 -1.004 0.00 0.00 -0.050 Br ATOM 11 C LIG 1 -2.380 3.034 -0.938 0.00 0.00 +0.017 A ATOM 12 C LIG 1 -1.138 2.413 -0.766 0.00 0.00 +0.027 A ATOM 13 N LIG 1 0.221 -2.127 0.472 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -1.117 1.052 -0.414 0.00 0.00 +0.052 A ENDROOT BRANCH 1 21 ATOM 15 O LIG 1 5.336 -0.515 0.253 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.138 -0.263 0.176 0.00 0.00 +0.219 C ATOM 17 N LIG 1 3.346 -0.857 -0.773 0.00 0.00 -0.255 N ATOM 18 H LIG 1 3.829 -1.470 -1.415 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 2.107 -0.430 -1.190 0.00 0.00 +0.242 C ATOM 20 O LIG 1 1.705 -0.724 -2.316 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 1.356 0.508 -0.251 0.00 0.00 +0.176 C ATOM 22 C LIG 1 1.985 0.552 1.145 0.00 0.00 +0.044 C ATOM 23 C LIG 1 3.481 0.792 1.032 0.00 0.00 +0.099 C ENDBRANCH 1 21 TORSDOF 1