REMARK Name = BDB009899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.773 -1.213 1.358 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.483 -0.710 1.283 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.393 -1.776 1.257 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.428 -2.883 1.381 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.014 -4.147 1.441 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.348 -4.225 1.377 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.224 -3.199 1.248 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.774 -1.934 1.167 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.743 -2.530 1.442 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.477 1.295 0.471 0.00 0.00 -0.044 A ATOM 11 C LIG 1 3.315 0.509 0.401 0.00 0.00 +0.015 A ATOM 12 C LIG 1 2.998 -0.412 1.409 0.00 0.00 +0.018 A ATOM 13 C LIG 1 3.884 -0.580 2.478 0.00 0.00 +0.011 A ATOM 14 C LIG 1 5.046 0.187 2.558 0.00 0.00 +0.001 A ATOM 15 C LIG 1 5.337 1.123 1.565 0.00 0.00 +0.004 A BRANCH 10 17 ATOM 16 C LIG 1 3.722 3.350 -0.789 0.00 0.00 +0.012 C ATOM 17 C LIG 1 4.823 2.301 -0.614 0.00 0.00 +0.013 C ATOM 18 C LIG 1 5.127 1.604 -1.942 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.927 -5.614 1.444 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -1.314 -6.662 1.572 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -3.278 -5.641 1.341 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -3.495 -6.593 1.406 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.644 -0.867 1.008 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.238 -0.137 0.436 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.053 -1.065 0.658 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.852 -1.792 1.734 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.190 -1.693 -0.704 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -5.277 -1.251 -1.653 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -3.843 -0.911 -1.949 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 30 ATOM 30 C LIG 1 0.114 0.696 1.389 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -0.153 1.389 0.067 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -0.424 2.767 0.099 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -0.688 3.477 -1.076 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -0.698 2.825 -2.315 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -0.424 1.452 -2.353 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.160 0.742 -1.178 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -0.956 3.591 -3.590 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -1.711 4.709 -3.398 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.195 4.013 -4.181 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.615 2.855 -4.527 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 10