REMARK Name = BDB037809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.461 1.192 0.588 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.577 0.610 -0.036 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.496 -0.409 -0.967 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.821 -0.688 -1.393 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.677 0.131 -0.760 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 -0.196 -1.025 -1.370 0.00 0.00 +0.057 C ATOM 7 C LIG 1 0.874 0.086 -1.259 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.928 0.841 0.120 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.817 0.777 0.134 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.851 1.022 0.768 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -3.235 -1.702 -2.391 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -4.564 -2.114 -2.445 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.982 -3.159 -3.344 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.467 -3.343 -3.209 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -6.957 -2.336 -2.205 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.875 -2.905 -4.520 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -5.681 -1.739 -1.548 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -2.403 -2.196 -3.157 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -5.507 -2.295 -0.189 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -5.389 -2.728 0.882 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.631 1.780 0.984 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.780 3.145 0.315 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.374 4.155 1.291 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.030 3.529 2.394 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.859 2.444 1.988 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -5.007 1.288 1.477 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.230 -0.386 -1.539 0.00 0.00 -0.302 N ATOM 28 H LIG 1 2.605 -1.073 -0.884 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.169 0.475 -2.074 0.00 0.00 +0.231 C ATOM 30 O LIG 1 2.892 1.554 -2.591 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 C LIG 1 4.608 -0.020 -1.921 0.00 0.00 +0.203 C BRANCH 31 32 ATOM 32 N LIG 1 5.047 0.116 -0.540 0.00 0.00 -0.292 N ATOM 33 C LIG 1 4.679 -0.789 0.442 0.00 0.00 +0.217 C ATOM 34 O LIG 1 4.104 -1.850 0.243 0.00 0.00 -0.276 OA ATOM 35 C LIG 1 4.997 -0.200 1.793 0.00 0.00 +0.105 C ATOM 36 C LIG 1 5.800 1.066 1.466 0.00 0.00 +0.045 C ATOM 37 C LIG 1 5.371 1.399 0.034 0.00 0.00 +0.117 C BRANCH 36 38 ATOM 38 C LIG 1 7.292 0.852 1.668 0.00 0.00 -0.042 A ATOM 39 C LIG 1 8.101 0.196 0.728 0.00 0.00 +0.004 A ATOM 40 C LIG 1 9.464 0.007 0.968 0.00 0.00 +0.000 A ATOM 41 C LIG 1 10.038 0.463 2.152 0.00 0.00 +0.000 A ATOM 42 C LIG 1 9.248 1.104 3.100 0.00 0.00 +0.000 A ATOM 43 C LIG 1 7.886 1.295 2.861 0.00 0.00 +0.004 A ENDBRANCH 36 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 44 ATOM 44 C LIG 1 0.215 -2.298 -0.641 0.00 0.00 -0.001 C ATOM 45 C LIG 1 0.176 -2.440 0.862 0.00 0.00 +0.004 C ATOM 46 C LIG 1 -0.767 -3.245 0.012 0.00 0.00 +0.004 C ENDBRANCH 6 44 BRANCH 1 48 ATOM 47 C LIG 1 -0.574 1.245 3.058 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.466 2.047 1.769 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 9