REMARK Name = BDB007814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.606 -0.318 -0.560 0.00 0.00 +0.229 A ATOM 2 O LIG 1 2.313 0.105 -0.705 0.00 0.00 -0.434 OA ATOM 3 C LIG 1 1.539 -0.908 -0.192 0.00 0.00 +0.168 A ATOM 4 C LIG 1 2.401 -1.912 0.210 0.00 0.00 +0.172 A ATOM 5 N LIG 1 3.717 -1.519 -0.033 0.00 0.00 -0.204 NA ENDROOT BRANCH 1 15 ATOM 6 C LIG 1 5.815 -0.613 1.902 0.00 0.00 +0.046 C ATOM 7 C LIG 1 6.422 0.293 0.890 0.00 0.00 -0.025 A ATOM 8 C LIG 1 5.848 0.769 -0.348 0.00 0.00 +0.015 A ATOM 9 C LIG 1 6.798 1.635 -0.911 0.00 0.00 +0.047 A ATOM 10 C LIG 1 6.593 2.335 -2.108 0.00 0.00 +0.026 A ATOM 11 C LIG 1 5.379 2.163 -2.767 0.00 0.00 +0.003 A ATOM 12 C LIG 1 4.411 1.309 -2.251 0.00 0.00 +0.014 A ATOM 13 N LIG 1 7.896 1.647 -0.085 0.00 0.00 -0.360 N ATOM 14 H LIG 1 8.734 2.185 -0.255 0.00 0.00 +0.165 HD ATOM 15 C LIG 1 4.624 0.595 -1.053 0.00 0.00 +0.046 A ATOM 16 C LIG 1 7.682 0.849 0.999 0.00 0.00 +0.087 A ENDBRANCH 1 15 BRANCH 3 17 ATOM 17 C LIG 1 0.105 -0.655 -0.206 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.731 -1.101 0.818 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -2.111 -0.839 0.792 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.713 -0.127 -0.253 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -1.855 0.333 -1.265 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -0.477 0.076 -1.246 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 -4.080 0.154 -0.296 0.00 0.00 -0.327 N ATOM 24 C LIG 1 -4.942 -0.143 0.862 0.00 0.00 +0.126 C ATOM 25 C LIG 1 -6.297 0.646 0.780 0.00 0.00 +0.029 C ATOM 26 C LIG 1 -7.308 -0.012 1.735 0.00 0.00 +0.029 C ATOM 27 C LIG 1 -6.066 2.100 1.238 0.00 0.00 +0.029 C ATOM 28 N LIG 1 -6.937 0.683 -0.567 0.00 0.00 -0.308 NA ATOM 29 H LIG 1 -6.829 1.626 -0.942 0.00 0.00 +0.123 HD ATOM 30 C LIG 1 -6.251 -0.231 -1.495 0.00 0.00 +0.100 C ATOM 31 C LIG 1 -4.736 0.046 -1.616 0.00 0.00 +0.120 C ENDBRANCH 20 23 ENDBRANCH 3 17 BRANCH 4 32 ATOM 32 C LIG 1 2.091 -3.218 0.771 0.00 0.00 +0.264 C ATOM 33 O LIG 1 0.966 -3.667 0.959 0.00 0.00 -0.269 OA ATOM 34 N LIG 1 3.203 -3.954 1.076 0.00 0.00 -0.324 N ATOM 35 H LIG 1 3.088 -4.915 1.359 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 4.112 -3.607 0.793 0.00 0.00 +0.145 HD ENDBRANCH 4 32 TORSDOF 4