REMARK Name = BDB016185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.574 1.681 -0.461 0.00 0.00 +0.009 A ATOM 2 C LIG 1 1.506 1.066 -1.160 0.00 0.00 +0.057 A ATOM 3 C LIG 1 1.104 1.559 -2.411 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.014 0.799 -2.836 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -0.298 -0.139 -1.865 0.00 0.00 +0.052 A ATOM 6 C LIG 1 1.792 2.645 -2.991 0.00 0.00 +0.010 A ATOM 7 C LIG 1 2.860 3.234 -2.316 0.00 0.00 +0.001 A ATOM 8 N LIG 1 0.684 -0.025 -0.893 0.00 0.00 -0.342 N ATOM 9 C LIG 1 0.842 -0.947 0.215 0.00 0.00 +0.149 C ATOM 10 C LIG 1 3.239 2.762 -1.066 0.00 0.00 +0.010 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -1.405 -1.112 -1.833 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -2.436 -1.049 -0.838 0.00 0.00 +0.058 A ATOM 13 N LIG 1 -2.345 -0.009 0.113 0.00 0.00 -0.339 N ATOM 14 H LIG 1 -1.870 0.791 -0.309 0.00 0.00 +0.146 HD ATOM 15 C LIG 1 -3.530 0.396 0.853 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -3.835 -0.658 1.894 0.00 0.00 +0.118 C ATOM 17 C LIG 1 -4.715 -1.714 1.308 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -4.431 -2.285 0.112 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -5.086 -3.032 -0.084 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -5.698 -2.126 1.932 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -3.226 1.733 1.537 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.401 -2.083 -0.830 0.00 0.00 +0.055 A ATOM 23 C LIG 1 -3.389 -3.050 -1.859 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -2.416 -3.055 -2.853 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -1.418 -2.095 -2.833 0.00 0.00 +0.012 A ENDBRANCH 5 11 BRANCH 1 27 ATOM 26 C LIG 1 4.030 0.447 1.048 0.00 0.00 +0.077 C ATOM 27 C LIG 1 2.966 1.254 0.884 0.00 0.00 +0.015 C BRANCH 26 29 ATOM 28 C LIG 1 5.487 -1.201 2.221 0.00 0.00 +0.125 C ATOM 29 N LIG 1 4.520 -0.120 2.208 0.00 0.00 -0.352 N ATOM 30 H LIG 1 3.836 -0.166 2.966 0.00 0.00 +0.145 HD ENDBRANCH 26 29 BRANCH 27 31 ATOM 31 C LIG 1 2.176 1.725 2.055 0.00 0.00 +0.111 C ATOM 32 N LIG 1 2.639 1.946 3.242 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 3.658 1.787 3.235 0.00 0.00 +0.186 HD ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 4