REMARK Name = BDB017475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.288 1.795 -1.258 0.00 0.00 +0.093 A ATOM 2 C LIG 1 -0.686 1.709 -0.213 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.815 2.333 -0.729 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -3.012 2.472 -0.016 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -3.099 1.919 1.276 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -1.960 1.296 1.809 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.468 2.720 -1.993 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -2.046 3.205 -2.669 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.761 1.176 1.087 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -0.222 2.380 -2.351 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.387 2.013 2.064 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -5.665 1.341 1.601 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -5.824 0.538 0.339 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -7.103 0.802 -0.175 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -7.586 0.234 -1.333 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -6.734 -0.638 -2.013 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -5.441 -0.923 -1.530 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -7.769 1.697 0.665 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -8.707 2.041 0.531 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -4.992 -0.345 -0.337 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -6.987 2.060 1.747 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -7.282 2.815 2.658 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -4.934 0.802 2.796 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -4.721 -1.785 -2.315 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -3.345 -1.947 -1.989 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 27 ATOM 26 C LIG 1 2.452 1.234 -0.180 0.00 0.00 +0.010 C ATOM 27 C LIG 1 1.638 1.312 -1.246 0.00 0.00 +0.031 C BRANCH 26 34 ATOM 28 N LIG 1 7.661 -1.701 1.067 0.00 0.00 -0.294 NA ATOM 29 C LIG 1 6.372 -1.361 1.724 0.00 0.00 +0.120 C ATOM 30 C LIG 1 5.623 -0.511 0.749 0.00 0.00 -0.028 A ATOM 31 C LIG 1 6.468 -0.157 -0.298 0.00 0.00 -0.029 A ATOM 32 C LIG 1 6.031 0.658 -1.325 0.00 0.00 +0.006 A ATOM 33 C LIG 1 4.707 1.108 -1.294 0.00 0.00 +0.008 A ATOM 34 C LIG 1 3.836 0.743 -0.245 0.00 0.00 -0.025 A ATOM 35 C LIG 1 4.312 -0.065 0.798 0.00 0.00 +0.013 A ATOM 36 C LIG 1 7.819 -0.754 -0.069 0.00 0.00 +0.120 C BRANCH 28 38 ATOM 37 C LIG 1 6.685 -3.595 -0.363 0.00 0.00 +0.020 C ATOM 38 C LIG 1 7.726 -3.107 0.643 0.00 0.00 +0.082 C ENDBRANCH 28 38 ENDBRANCH 26 34 ENDBRANCH 1 27 TORSDOF 5