REMARK Name = BDB024290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.342 0.390 0.800 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.208 -0.451 -0.465 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.422 0.077 -1.750 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.307 -0.733 -2.881 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.013 -2.083 -2.747 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.213 -2.626 -1.480 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.099 -1.818 -0.348 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.058 1.910 0.609 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.192 2.399 0.356 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.187 3.398 0.211 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.961 2.757 0.691 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.422 1.748 0.302 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.526 0.446 0.600 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.754 -0.130 0.519 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.920 0.542 0.171 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.788 1.899 -0.119 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.532 2.508 -0.051 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.208 -0.120 0.101 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.556 -1.273 0.777 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.852 -1.543 0.441 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.658 -2.647 0.901 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.381 -0.645 -0.407 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.383 0.217 -0.613 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.655 0.187 1.497 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.724 0.929 2.197 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.831 0.281 0.621 0.00 0.00 +0.090 C BRANCH 26 28 ATOM 27 C LIG 1 -4.320 -1.054 2.221 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.152 0.250 1.430 0.00 0.00 +0.033 C BRANCH 28 29 ATOM 29 C LIG 1 -5.349 0.487 0.520 0.00 0.00 -0.008 A ATOM 30 C LIG 1 -6.144 1.627 0.687 0.00 0.00 +0.128 A ATOM 31 F LIG 1 -5.859 2.510 1.655 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -7.242 1.880 -0.132 0.00 0.00 +0.057 A ATOM 33 C LIG 1 -7.566 0.981 -1.148 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -6.786 -0.165 -1.333 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.685 -0.410 -0.506 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 C LIG 1 -8.693 1.231 -1.998 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -9.604 1.431 -2.687 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9