REMARK Name = BDB021007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.919 4.023 -1.620 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -5.423 2.790 -1.056 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -6.028 2.369 -0.370 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -4.083 2.673 -0.782 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.687 1.452 -0.261 0.00 0.00 -0.278 N ATOM 6 C LIG 1 -2.328 1.398 0.275 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -1.848 0.004 0.475 0.00 0.00 +0.064 A ATOM 8 N LIG 1 -2.605 -1.109 0.183 0.00 0.00 -0.328 N ATOM 9 C LIG 1 -1.846 -2.224 0.418 0.00 0.00 +0.114 A ATOM 10 N LIG 1 -0.661 -1.878 0.880 0.00 0.00 -0.232 NA ATOM 11 C LIG 1 -3.950 -1.008 -0.332 0.00 0.00 +0.142 C ATOM 12 C LIG 1 -0.647 -0.509 0.923 0.00 0.00 +0.095 A ATOM 13 C LIG 1 -4.576 0.330 0.048 0.00 0.00 +0.131 C ATOM 14 O LIG 1 -3.295 3.590 -0.997 0.00 0.00 -0.253 OA ENDROOT BRANCH 12 15 ATOM 15 C LIG 1 0.513 0.251 1.348 0.00 0.00 +0.013 A ATOM 16 C LIG 1 1.787 0.056 0.743 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.892 0.804 1.171 0.00 0.00 +0.075 A ATOM 18 N LIG 1 4.113 0.678 0.636 0.00 0.00 -0.227 NA ATOM 19 C LIG 1 4.262 -0.216 -0.358 0.00 0.00 +0.163 A ATOM 20 N LIG 1 3.289 -0.990 -0.859 0.00 0.00 -0.235 NA ATOM 21 C LIG 1 2.715 1.723 2.196 0.00 0.00 +0.028 A ATOM 22 C LIG 1 1.477 1.917 2.810 0.00 0.00 +0.003 A ATOM 23 C LIG 1 2.075 -0.837 -0.291 0.00 0.00 +0.123 A ATOM 24 C LIG 1 0.377 1.179 2.388 0.00 0.00 +0.011 A BRANCH 19 25 ATOM 25 C LIG 1 5.577 -0.359 -0.945 0.00 0.00 +0.056 A ATOM 26 C LIG 1 6.708 0.345 -0.581 0.00 0.00 +0.119 A ATOM 27 N LIG 1 7.712 -0.104 -1.386 0.00 0.00 -0.274 N ATOM 28 C LIG 1 9.087 0.332 -1.384 0.00 0.00 +0.172 C ATOM 29 N LIG 1 7.321 -1.055 -2.255 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.020 -1.207 -1.982 0.00 0.00 +0.146 A ENDBRANCH 19 25 ENDBRANCH 12 15 BRANCH 9 31 ATOM 31 C LIG 1 -2.162 -3.737 0.201 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -3.228 -4.242 -0.728 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -3.418 -4.345 0.762 0.00 0.00 +0.012 C ENDBRANCH 9 31 TORSDOF 3