REMARK Name = BDB018128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.361 0.379 -0.369 0.00 0.00 +0.216 C ATOM 2 N LIG 1 1.027 0.354 -0.495 0.00 0.00 -0.301 N ATOM 3 C LIG 1 1.881 -0.746 -0.042 0.00 0.00 +0.108 C ATOM 4 C LIG 1 3.200 -0.793 -0.808 0.00 0.00 +0.030 C ATOM 5 C LIG 1 3.987 0.519 -0.682 0.00 0.00 +0.063 C ATOM 6 C LIG 1 3.074 1.739 -0.468 0.00 0.00 +0.030 C ATOM 7 C LIG 1 1.691 1.523 -1.069 0.00 0.00 +0.108 C ATOM 8 O LIG 1 -1.030 1.308 -0.819 0.00 0.00 -0.276 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.977 0.397 0.473 0.00 0.00 +0.166 C ATOM 10 O LIG 1 4.605 0.395 1.645 0.00 0.00 -0.292 OA BRANCH 9 11 ATOM 11 C LIG 1 6.433 0.258 0.184 0.00 0.00 +0.018 A ATOM 12 C LIG 1 7.343 0.710 1.150 0.00 0.00 +0.026 A ATOM 13 C LIG 1 8.720 0.594 0.927 0.00 0.00 +0.059 A ATOM 14 C LIG 1 9.184 0.015 -0.261 0.00 0.00 +0.015 A ATOM 15 C LIG 1 8.279 -0.449 -1.216 0.00 0.00 +0.001 A ATOM 16 C LIG 1 6.905 -0.332 -0.994 0.00 0.00 +0.011 A BRANCH 13 17 ATOM 17 C LIG 1 9.721 1.065 1.914 0.00 0.00 +0.337 C ATOM 18 O LIG 1 10.929 0.974 1.799 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 9.160 1.633 2.994 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 9.921 1.891 3.555 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 5 9 BRANCH 1 21 ATOM 21 C LIG 1 -1.000 -0.815 0.342 0.00 0.00 +0.102 C BRANCH 21 23 ATOM 22 C LIG 1 -2.816 0.492 1.557 0.00 0.00 +0.012 C ATOM 23 C LIG 1 -2.522 -0.731 0.666 0.00 0.00 -0.021 C ATOM 24 C LIG 1 -2.868 -1.998 1.484 0.00 0.00 +0.012 C BRANCH 23 25 ATOM 25 C LIG 1 -3.353 -0.699 -0.653 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 -4.859 -0.668 -0.505 0.00 0.00 +0.020 A ATOM 27 N LIG 1 -5.510 -1.875 -0.386 0.00 0.00 -0.326 N ATOM 28 H LIG 1 -4.980 -2.739 -0.383 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -6.874 -2.031 -0.266 0.00 0.00 +0.257 A ATOM 30 O LIG 1 -7.388 -3.139 -0.158 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -7.681 -0.787 -0.277 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -7.023 0.443 -0.415 0.00 0.00 -0.011 A ATOM 33 C LIG 1 -7.776 1.621 -0.428 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -9.168 1.565 -0.306 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -9.815 0.336 -0.169 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -9.073 -0.845 -0.155 0.00 0.00 +0.014 A ATOM 37 C LIG 1 -5.564 0.475 -0.541 0.00 0.00 +0.030 A ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8