REMARK Name = BDB029050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.613 -1.474 -0.546 0.00 0.00 +0.153 C ATOM 2 N LIG 1 -5.236 -1.141 -0.256 0.00 0.00 -0.302 N ATOM 3 C LIG 1 -4.835 -1.149 1.086 0.00 0.00 +0.263 A ATOM 4 O LIG 1 -5.585 -1.423 2.019 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -3.442 -0.798 1.264 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -2.595 -0.662 2.396 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -1.352 -0.280 1.915 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -1.437 -0.162 0.547 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -2.700 -0.494 0.142 0.00 0.00 +0.149 A ATOM 10 N LIG 1 -3.111 -0.494 -1.146 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 -4.361 -0.816 -1.283 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -2.863 -0.856 3.809 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -2.558 0.159 4.727 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -2.813 -0.017 6.095 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -3.344 -1.237 6.550 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -3.653 -2.245 5.629 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 -4.318 -3.757 6.138 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 -3.419 -2.054 4.266 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 -2.512 1.062 7.072 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -2.417 0.808 8.269 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -2.389 2.344 6.615 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -2.310 3.063 7.324 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -2.733 2.636 5.710 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 -3.574 -1.475 7.884 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 -3.194 -0.733 8.407 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 6 12 BRANCH 8 26 ATOM 26 C LIG 1 -0.344 0.213 -0.339 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 -0.312 1.707 -0.618 0.00 0.00 +0.237 C ATOM 28 N LIG 1 0.475 2.204 -1.633 0.00 0.00 -0.283 N ATOM 29 H LIG 1 0.706 3.174 -1.442 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -0.859 2.535 0.117 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 1.332 1.484 -2.486 0.00 0.00 +0.057 A ATOM 32 C LIG 1 0.886 0.578 -3.448 0.00 0.00 +0.080 A ATOM 33 CL LIG 1 -0.777 0.324 -3.817 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 1.843 -0.047 -4.230 0.00 0.00 +0.134 A ATOM 35 N LIG 1 3.176 0.183 -4.134 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 3.601 1.110 -3.247 0.00 0.00 +0.124 A ATOM 37 C LIG 1 2.696 1.782 -2.423 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 N LIG 1 4.971 1.442 -3.067 0.00 0.00 -0.300 N ATOM 39 C LIG 1 5.965 0.513 -3.398 0.00 0.00 +0.063 C ATOM 40 C LIG 1 6.017 -0.903 -3.733 0.00 0.00 +0.042 C ATOM 41 C LIG 1 6.189 -1.163 -5.199 0.00 0.00 +0.165 C ATOM 42 O LIG 1 6.568 0.021 -5.926 0.00 0.00 -0.378 OA ATOM 43 C LIG 1 5.661 1.120 -5.707 0.00 0.00 +0.184 C ATOM 44 C LIG 1 7.069 -0.225 -2.820 0.00 0.00 +0.036 C ATOM 45 C LIG 1 5.840 1.627 -4.314 0.00 0.00 +0.125 C ENDBRANCH 36 38 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7