REMARK Name = BDB021347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.302 -2.744 -2.547 0.00 0.00 +0.159 A ATOM 2 N LIG 1 1.277 -2.245 -1.720 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.879 -1.022 -1.413 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -0.351 -0.739 -1.977 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.011 0.487 -1.781 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -0.435 1.435 -1.092 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 0.793 1.163 -0.528 0.00 0.00 +0.126 A ATOM 8 C LIG 1 1.488 0.010 -0.639 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -0.702 -1.826 -2.744 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 2.796 -0.121 0.050 0.00 0.00 -0.013 A ATOM 11 C LIG 1 3.775 0.878 -0.033 0.00 0.00 +0.009 A ATOM 12 C LIG 1 5.007 0.728 0.614 0.00 0.00 +0.012 A ATOM 13 C LIG 1 5.302 -0.428 1.350 0.00 0.00 +0.021 A ATOM 14 C LIG 1 4.327 -1.430 1.429 0.00 0.00 +0.012 A ATOM 15 C LIG 1 3.091 -1.278 0.784 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 6.604 -0.547 2.002 0.00 0.00 +0.179 A ATOM 17 N LIG 1 7.121 -1.687 2.555 0.00 0.00 -0.239 N ATOM 18 H LIG 1 6.731 -2.618 2.610 0.00 0.00 +0.192 HD ATOM 19 N LIG 1 8.336 -1.454 3.068 0.00 0.00 -0.046 NA ATOM 20 N LIG 1 8.570 -0.175 2.821 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 7.513 0.399 2.160 0.00 0.00 -0.108 NA ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 0.440 -5.117 -3.583 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 0.396 -4.056 -3.112 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 N LIG 1 -2.257 0.729 -2.323 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -2.446 1.721 -2.189 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.425 -0.031 -1.882 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -3.740 0.228 -0.437 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -4.415 1.365 -0.002 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -4.918 2.535 -0.761 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -5.777 3.187 0.324 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -5.309 2.752 1.619 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -4.649 1.581 1.351 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -4.227 0.698 2.325 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -3.552 -0.450 1.912 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -3.317 -0.673 0.550 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -2.652 -1.781 0.189 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 6