REMARK Name = BDB056334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.024 -0.955 -0.510 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.094 -1.975 -0.535 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.052 -3.024 0.108 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.247 -1.686 -1.263 0.00 0.00 -0.261 N ATOM 5 C LIG 1 1.353 -0.670 -2.298 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.753 0.627 -2.304 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.109 1.499 -3.365 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.925 1.122 -4.431 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.432 -0.156 -4.470 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.111 1.172 -1.270 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -0.959 2.277 -1.520 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -1.318 2.632 -2.643 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.151 -1.027 -3.420 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.364 0.355 -0.092 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -3.263 -0.845 0.559 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.024 -1.424 0.457 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -1.849 -2.346 0.848 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -3.532 0.207 -0.021 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -4.252 -1.537 1.535 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -4.412 -3.024 1.231 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -6.241 -0.744 2.691 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -5.575 -0.886 1.405 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -5.427 0.044 0.996 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 2.457 -2.516 -0.963 0.00 0.00 +0.109 C ATOM 25 C LIG 1 2.308 -3.972 -1.449 0.00 0.00 +0.033 C BRANCH 24 26 ATOM 26 C LIG 1 2.912 -2.341 0.503 0.00 0.00 -0.019 A ATOM 27 C LIG 1 3.575 -1.149 0.947 0.00 0.00 -0.013 A ATOM 28 C LIG 1 3.934 -1.033 2.318 0.00 0.00 -0.018 A ATOM 29 C LIG 1 4.575 0.123 2.794 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.878 1.181 1.942 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.547 1.092 0.600 0.00 0.00 +0.001 A ATOM 32 C LIG 1 3.651 -2.073 3.211 0.00 0.00 +0.008 A ATOM 33 C LIG 1 3.014 -3.228 2.778 0.00 0.00 +0.001 A ATOM 34 C LIG 1 3.911 -0.054 0.113 0.00 0.00 +0.009 A ATOM 35 C LIG 1 2.647 -3.358 1.443 0.00 0.00 +0.006 A ENDBRANCH 24 26 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 -1.425 3.055 -0.288 0.00 0.00 +0.099 C BRANCH 36 37 ATOM 37 C LIG 1 -1.821 4.510 -0.602 0.00 0.00 -0.008 C ATOM 38 C LIG 1 -2.535 5.129 0.601 0.00 0.00 +0.008 C ATOM 39 C LIG 1 -0.596 5.353 -0.967 0.00 0.00 +0.008 C ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 7