REMARK Name = BDB037833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.469 -1.589 -0.400 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.656 -0.778 -0.140 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.624 0.609 -0.205 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.943 1.074 0.041 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.751 0.021 0.225 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.628 1.378 -0.491 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.796 0.512 0.032 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.960 -1.080 0.199 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.700 -0.905 -0.581 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.666 -1.404 -1.170 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.396 2.486 0.074 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.743 2.775 0.265 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.845 1.873 0.430 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.120 2.659 0.263 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.729 4.083 -0.038 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.790 1.537 -0.684 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.216 4.169 0.279 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.595 3.411 -0.081 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.996 4.798 1.599 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.856 5.299 2.638 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.630 -2.292 0.662 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.256 -3.105 -0.476 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.928 -4.354 0.071 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -3.028 -5.085 0.901 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -2.665 -4.358 2.074 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -1.866 -3.122 1.694 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.120 1.080 -0.242 0.00 0.00 -0.303 N ATOM 28 H LIG 1 3.426 1.008 -1.206 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 4.120 1.030 0.710 0.00 0.00 +0.217 C ATOM 30 O LIG 1 3.877 0.784 1.892 0.00 0.00 -0.275 OA BRANCH 29 31 ATOM 31 C LIG 1 5.541 1.309 0.126 0.00 0.00 +0.075 C ATOM 32 C LIG 1 6.643 1.785 1.109 0.00 0.00 +0.016 C ATOM 33 C LIG 1 7.121 0.318 1.207 0.00 0.00 -0.013 C ATOM 34 C LIG 1 8.619 0.096 1.260 0.00 0.00 +0.007 C ATOM 35 C LIG 1 6.434 0.073 -0.156 0.00 0.00 +0.016 C ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 36 ATOM 36 C LIG 1 0.853 1.838 -1.926 0.00 0.00 -0.001 C ATOM 37 C LIG 1 -0.264 2.061 -2.922 0.00 0.00 +0.004 C ATOM 38 C LIG 1 0.700 0.925 -3.122 0.00 0.00 +0.004 C ENDBRANCH 6 36 BRANCH 1 40 ATOM 39 C LIG 1 1.372 -3.907 -0.122 0.00 0.00 +0.025 C ATOM 40 C LIG 1 0.445 -2.965 -0.887 0.00 0.00 +0.112 C ENDBRANCH 1 40 TORSDOF 7