REMARK Name = BDB031765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.653 0.484 0.152 0.00 0.00 +0.153 A ATOM 2 C LIG 1 0.491 1.276 0.425 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -0.279 1.198 -0.726 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.512 1.844 -0.870 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -2.014 2.592 0.212 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -1.230 2.688 1.375 0.00 0.00 +0.005 A ATOM 7 N LIG 1 0.435 0.403 -1.576 0.00 0.00 -0.275 N ATOM 8 H LIG 1 0.184 0.127 -2.518 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 0.009 2.042 1.502 0.00 0.00 +0.014 A ATOM 10 N LIG 1 1.594 -0.044 -1.073 0.00 0.00 -0.157 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -3.345 3.300 0.101 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -4.648 2.549 -0.081 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -4.802 1.057 -0.174 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.809 0.789 -1.113 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -6.214 -0.485 -1.448 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -5.579 -1.552 -0.805 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -4.571 -1.321 0.149 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -6.312 1.991 -1.613 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -7.056 2.082 -2.288 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -4.187 -0.009 0.467 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -5.687 3.084 -1.040 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -5.909 4.264 -1.254 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -4.359 3.231 1.225 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -3.889 -2.287 0.839 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -4.227 -3.640 0.564 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 2.665 0.357 1.056 0.00 0.00 -0.283 N ATOM 27 H LIG 1 2.683 1.094 1.754 0.00 0.00 +0.155 HD BRANCH 26 29 ATOM 28 N LIG 1 4.014 -1.586 0.395 0.00 0.00 -0.250 N ATOM 29 C LIG 1 3.842 -0.319 0.921 0.00 0.00 +0.122 A ATOM 30 C LIG 1 5.094 0.074 1.348 0.00 0.00 +0.068 A ATOM 31 C LIG 1 5.951 -0.977 0.990 0.00 0.00 +0.068 A ATOM 32 N LIG 1 5.308 -2.000 0.433 0.00 0.00 -0.174 NA BRANCH 31 33 ATOM 33 C LIG 1 7.479 -0.982 1.249 0.00 0.00 +0.040 C ATOM 34 C LIG 1 8.345 0.054 0.580 0.00 0.00 +0.010 C ATOM 35 C LIG 1 8.410 -1.376 0.132 0.00 0.00 +0.010 C ENDBRANCH 31 33 BRANCH 28 37 ATOM 36 C LIG 1 3.091 -2.970 -1.440 0.00 0.00 +0.029 C ATOM 37 C LIG 1 3.018 -2.575 0.026 0.00 0.00 +0.142 C ENDBRANCH 28 37 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 6