REMARK Name = BDB005347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.754 -1.007 -0.074 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.903 0.089 -0.295 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.360 -0.409 -0.198 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.770 0.015 -0.353 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.453 -1.315 -0.178 0.00 0.00 -0.252 N ATOM 6 C LIG 1 -1.532 -2.363 0.114 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.752 -3.543 0.331 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.236 -1.735 0.068 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.056 -2.105 0.201 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.878 -1.481 -0.134 0.00 0.00 +0.056 A ATOM 11 C LIG 1 -4.793 -0.729 -0.905 0.00 0.00 +0.073 A ATOM 12 C LIG 1 -6.182 -0.921 -0.754 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.681 -1.859 0.145 0.00 0.00 +0.021 A ATOM 14 C LIG 1 -5.793 -2.618 0.892 0.00 0.00 +0.043 A ATOM 15 CL LIG 1 -6.398 -3.777 2.011 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 -4.414 -2.437 0.753 0.00 0.00 +0.044 A BRANCH 11 17 ATOM 17 C LIG 1 -4.399 0.188 -1.934 0.00 0.00 +0.101 C ATOM 18 N LIG 1 -4.088 0.944 -2.758 0.00 0.00 -0.191 NA ENDBRANCH 11 17 ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.225 1.029 0.684 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.718 2.280 0.277 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.153 3.219 1.217 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.098 2.917 2.575 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.632 4.073 3.730 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.612 1.685 3.002 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.178 0.746 2.062 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 5.923 -1.001 -0.044 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.333 -0.639 -1.190 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 3.985 -0.659 -1.196 0.00 0.00 +0.231 A ATOM 29 C LIG 1 3.212 -0.982 -0.094 0.00 0.00 +0.097 A ATOM 30 C LIG 1 3.935 -1.360 1.017 0.00 0.00 +0.133 A ATOM 31 N LIG 1 5.284 -1.364 1.079 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 7.893 -1.446 1.125 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.299 -0.963 -0.072 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.324 -0.314 -2.364 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.193 -0.164 -3.483 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.319 1.468 -0.540 0.00 0.00 +0.083 C ATOM 37 C LIG 1 1.163 2.346 0.700 0.00 0.00 +0.030 C ATOM 38 C LIG 1 0.655 2.083 -1.771 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 7