REMARK Name = BDB056971 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.677 -1.344 -0.612 0.00 0.00 +0.041 A ATOM 2 C LIG 1 1.321 -0.129 -0.337 0.00 0.00 +0.036 A ATOM 3 C LIG 1 2.684 -0.107 -0.053 0.00 0.00 +0.036 A ATOM 4 C LIG 1 3.399 -1.314 -0.070 0.00 0.00 +0.046 A ATOM 5 C LIG 1 2.767 -2.537 -0.351 0.00 0.00 +0.036 A ATOM 6 C LIG 1 1.401 -2.543 -0.629 0.00 0.00 +0.036 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 3.576 -3.694 -0.341 0.00 0.00 -0.286 N ATOM 8 H LIG 1 4.564 -3.549 -0.177 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 3.164 -5.007 -0.478 0.00 0.00 +0.214 C ATOM 10 O LIG 1 2.011 -5.411 -0.564 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 4.320 -5.976 -0.463 0.00 0.00 +0.109 C ENDBRANCH 5 7 BRANCH 1 14 ATOM 12 N LIG 1 -1.541 -0.500 -0.184 0.00 0.00 -0.279 N ATOM 13 H LIG 1 -1.093 -0.011 0.584 0.00 0.00 +0.155 HD ATOM 14 C LIG 1 -0.778 -1.375 -0.928 0.00 0.00 +0.248 C ATOM 15 O LIG 1 -1.177 -2.155 -1.782 0.00 0.00 -0.270 OA BRANCH 12 17 ATOM 16 C LIG 1 -3.464 0.683 0.622 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -2.923 -0.238 -0.292 0.00 0.00 +0.076 A ATOM 18 C LIG 1 -3.764 -0.814 -1.244 0.00 0.00 +0.038 A ATOM 19 C LIG 1 -5.136 -0.505 -1.257 0.00 0.00 +0.019 A ATOM 20 C LIG 1 -5.662 0.392 -0.316 0.00 0.00 +0.015 A ATOM 21 C LIG 1 -4.824 0.984 0.628 0.00 0.00 +0.048 A BRANCH 19 22 ATOM 22 C LIG 1 -6.003 -1.141 -2.291 0.00 0.00 +0.160 C ATOM 23 O LIG 1 -5.507 -1.597 -3.317 0.00 0.00 -0.292 OA ATOM 24 C LIG 1 -7.491 -1.190 -2.058 0.00 0.00 +0.091 C ENDBRANCH 19 22 BRANCH 16 25 ATOM 25 O LIG 1 -2.644 1.251 1.569 0.00 0.00 -0.490 OA BRANCH 25 27 ATOM 26 C LIG 1 -1.258 3.094 2.181 0.00 0.00 +0.048 C ATOM 27 C LIG 1 -2.265 2.576 1.170 0.00 0.00 +0.226 C ENDBRANCH 25 27 ENDBRANCH 16 25 ENDBRANCH 12 17 ENDBRANCH 1 14 BRANCH 3 28 ATOM 28 N LIG 1 3.402 1.066 0.246 0.00 0.00 -0.279 N ATOM 29 H LIG 1 4.402 0.978 0.395 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 2.918 2.356 0.395 0.00 0.00 +0.284 C ATOM 31 O LIG 1 1.740 2.687 0.305 0.00 0.00 -0.266 OA BRANCH 30 32 ATOM 32 C LIG 1 3.969 3.313 0.695 0.00 0.00 +0.189 A ATOM 33 O LIG 1 5.266 2.877 0.804 0.00 0.00 -0.458 OA ATOM 34 C LIG 1 6.030 3.964 1.085 0.00 0.00 +0.196 A ATOM 35 C LIG 1 5.252 5.095 1.161 0.00 0.00 +0.042 A ATOM 36 C LIG 1 3.924 4.677 0.911 0.00 0.00 +0.054 A ENDBRANCH 30 32 ENDBRANCH 3 28 TORSDOF 8