REMARK Name = BDB031873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.920 -2.417 -1.115 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.078 -3.071 -0.196 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.819 -2.520 0.071 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.349 -1.363 -0.534 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.956 -1.153 0.016 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.265 -2.116 0.890 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 1.178 -0.713 -1.468 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.189 -2.915 0.903 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.204 -3.725 1.511 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.442 -1.254 -1.746 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.283 1.033 0.978 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.943 -0.266 0.571 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.648 -0.865 -0.462 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.562 -2.207 -1.132 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.288 -2.964 -1.450 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.686 -2.184 -2.143 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.293 -0.945 -2.048 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.081 -0.679 -2.618 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.980 -3.099 -2.893 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.224 -3.451 -0.362 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.699 -0.156 -1.060 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.064 1.120 -0.686 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.338 1.719 0.349 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.781 2.846 2.438 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.515 1.519 2.002 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.720 -0.099 -0.354 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -1.351 0.540 -1.055 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.007 0.340 0.044 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -3.545 1.490 -0.592 0.00 0.00 +0.142 A ATOM 30 C LIG 1 -4.817 1.957 -0.253 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -5.568 1.281 0.715 0.00 0.00 +0.076 A ATOM 32 C LIG 1 -5.031 0.175 1.367 0.00 0.00 +0.137 A ATOM 33 F LIG 1 -5.719 -0.456 2.330 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -3.767 -0.301 1.029 0.00 0.00 +0.066 A BRANCH 31 35 ATOM 35 C LIG 1 -6.893 1.817 1.078 0.00 0.00 +0.249 C ATOM 36 N LIG 1 -8.015 0.995 1.012 0.00 0.00 -0.304 N ATOM 37 C LIG 1 -9.274 1.491 1.539 0.00 0.00 +0.132 C ATOM 38 C LIG 1 -8.045 -0.342 0.435 0.00 0.00 +0.132 C ATOM 39 O LIG 1 -6.938 3.003 1.399 0.00 0.00 -0.270 OA ENDBRANCH 31 35 BRANCH 29 40 ATOM 40 O LIG 1 -2.723 2.066 -1.536 0.00 0.00 -0.493 OA ATOM 41 C LIG 1 -3.175 3.276 -2.133 0.00 0.00 +0.277 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6