REMARK Name = BDB021328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.510 -0.074 -0.453 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.193 1.166 -0.449 0.00 0.00 +0.151 A ATOM 3 N LIG 1 1.573 1.102 -0.408 0.00 0.00 -0.270 N ATOM 4 C LIG 1 2.038 2.397 -0.380 0.00 0.00 +0.134 A ATOM 5 C LIG 1 0.910 3.184 -0.427 0.00 0.00 +0.159 A ATOM 6 C LIG 1 2.286 -0.115 -0.390 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.627 -1.241 -0.398 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.226 2.418 -0.475 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.250 -1.191 -0.438 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -4.830 -0.419 -0.614 0.00 0.00 -0.027 A ATOM 11 C LIG 1 -4.073 -1.152 0.316 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -2.678 -1.047 0.375 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -1.986 -0.205 -0.505 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -2.727 0.538 -1.430 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -4.122 0.427 -1.483 0.00 0.00 +0.006 A BRANCH 10 16 ATOM 16 C LIG 1 -6.356 -0.534 -0.674 0.00 0.00 +0.047 C ATOM 17 C LIG 1 -6.950 -1.921 -0.879 0.00 0.00 +0.029 C ATOM 18 C LIG 1 -6.979 -0.937 -2.003 0.00 0.00 +0.029 C BRANCH 16 20 ATOM 19 C LIG 1 -6.994 1.809 -0.208 0.00 0.00 +0.105 C ATOM 20 N LIG 1 -7.148 0.406 0.169 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 -6.944 0.228 1.604 0.00 0.00 +0.105 C ENDBRANCH 16 20 ENDBRANCH 10 16 ENDBRANCH 1 13 BRANCH 5 22 ATOM 22 C LIG 1 0.854 4.614 -0.423 0.00 0.00 +0.121 C ATOM 23 N LIG 1 0.850 5.776 -0.422 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 3.664 -0.074 -0.360 0.00 0.00 -0.310 N ATOM 25 H LIG 1 4.110 0.762 -0.720 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 4.452 -1.273 -0.587 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 5.888 -0.996 -0.248 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.327 -0.849 1.065 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.562 -0.874 2.336 0.00 0.00 +0.080 C ATOM 30 C LIG 1 6.728 -0.947 3.322 0.00 0.00 +0.234 C ATOM 31 O LIG 1 7.918 -0.426 2.687 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 7.655 -0.559 1.349 0.00 0.00 +0.124 A ATOM 33 C LIG 1 8.602 -0.401 0.357 0.00 0.00 +0.049 A ATOM 34 C LIG 1 8.189 -0.551 -0.966 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.849 -0.843 -1.256 0.00 0.00 +0.129 A ATOM 36 F LIG 1 6.485 -0.959 -2.541 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 7