REMARK Name = BDB002710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.321 -0.847 -1.342 0.00 0.00 +0.069 C ATOM 2 C LIG 1 0.002 -1.092 -2.032 0.00 0.00 +0.087 C ATOM 3 C LIG 1 -0.676 0.248 -1.798 0.00 0.00 +0.140 C ATOM 4 N LIG 1 0.399 1.089 -1.293 0.00 0.00 -0.185 N ATOM 5 C LIG 1 0.333 2.471 -1.232 0.00 0.00 +0.235 C ATOM 6 O LIG 1 -0.633 3.112 -1.647 0.00 0.00 -0.274 OA ATOM 7 N LIG 1 1.542 0.389 -1.000 0.00 0.00 -0.181 NA ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 4.176 -3.972 -0.628 0.00 0.00 +0.120 A ATOM 9 C LIG 1 4.404 -2.672 -0.171 0.00 0.00 +0.046 A ATOM 10 C LIG 1 3.474 -1.659 -0.411 0.00 0.00 +0.013 A ATOM 11 C LIG 1 2.298 -1.937 -1.114 0.00 0.00 -0.002 A ATOM 12 C LIG 1 2.067 -3.237 -1.576 0.00 0.00 +0.013 A ATOM 13 C LIG 1 3.004 -4.250 -1.331 0.00 0.00 +0.046 A BRANCH 8 15 ATOM 14 C LIG 1 4.977 -6.207 -0.759 0.00 0.00 +0.277 C ATOM 15 O LIG 1 5.164 -4.866 -0.325 0.00 0.00 -0.495 OA ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 3 16 ATOM 16 C LIG 1 -1.827 0.209 -0.834 0.00 0.00 +0.021 A ATOM 17 C LIG 1 -1.948 -0.393 0.453 0.00 0.00 +0.098 A ATOM 18 N LIG 1 -3.183 -0.251 0.949 0.00 0.00 -0.166 NA ATOM 19 N LIG 1 -3.846 0.524 0.061 0.00 0.00 -0.239 N ATOM 20 C LIG 1 -3.067 0.789 -1.040 0.00 0.00 +0.120 A BRANCH 17 21 ATOM 21 C LIG 1 -0.949 -1.127 1.216 0.00 0.00 +0.002 A ATOM 22 C LIG 1 0.101 -0.449 1.844 0.00 0.00 +0.010 A ATOM 23 C LIG 1 1.070 -1.160 2.554 0.00 0.00 +0.001 A ATOM 24 C LIG 1 0.989 -2.549 2.646 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -0.068 -3.229 2.042 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -1.039 -2.520 1.333 0.00 0.00 +0.010 A ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 C LIG 1 -5.187 0.934 0.308 0.00 0.00 +0.065 A ATOM 28 C LIG 1 -5.824 0.530 1.491 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -7.140 0.919 1.753 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -7.827 1.714 0.839 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.200 2.124 -0.337 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -5.883 1.738 -0.606 0.00 0.00 +0.028 A ENDBRANCH 19 27 ENDBRANCH 3 16 BRANCH 5 33 ATOM 33 C LIG 1 1.565 3.141 -0.640 0.00 0.00 +0.098 C BRANCH 33 34 ATOM 34 C LIG 1 1.377 4.651 -0.475 0.00 0.00 +0.020 C BRANCH 34 35 ATOM 35 C LIG 1 2.632 5.346 0.050 0.00 0.00 +0.121 C BRANCH 35 36 ATOM 36 C LIG 1 2.910 5.064 1.510 0.00 0.00 +0.305 C ATOM 37 O LIG 1 2.197 4.416 2.258 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 4.067 5.631 1.927 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 4.532 6.132 1.231 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10