REMARK Name = BDB024389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.196 1.257 -1.260 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.226 1.443 -2.394 0.00 0.00 +0.016 A ATOM 3 C LIG 1 0.250 0.506 -3.296 0.00 0.00 +0.113 A ATOM 4 N LIG 1 1.079 1.167 -4.149 0.00 0.00 -0.274 N ATOM 5 C LIG 1 1.814 0.607 -5.256 0.00 0.00 +0.172 C ATOM 6 N LIG 1 1.173 2.483 -3.890 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 0.374 2.650 -2.834 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.034 2.317 -0.144 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.061 2.445 0.656 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.022 3.242 1.271 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.945 3.137 0.055 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.229 1.690 0.761 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.382 0.548 0.076 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 2.554 -0.127 0.220 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.598 0.271 1.046 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.404 1.446 1.769 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.212 2.162 1.626 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.824 -0.493 1.167 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.364 -1.300 0.186 0.00 0.00 +0.116 A ATOM 20 N LIG 1 6.520 -1.813 0.703 0.00 0.00 -0.274 N ATOM 21 C LIG 1 7.443 -2.709 0.049 0.00 0.00 +0.172 C ATOM 22 N LIG 1 6.774 -1.401 1.956 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 5.746 -0.596 2.236 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.147 -0.137 -0.761 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -0.195 -0.253 -0.390 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.109 -0.430 0.308 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.927 -1.331 -1.248 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.601 -0.369 -0.099 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.484 -0.609 1.120 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.653 -1.887 1.675 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.460 -2.073 2.802 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.104 -0.983 3.394 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.934 0.295 2.856 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.128 0.480 1.730 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.931 -1.175 4.549 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.599 -1.329 5.485 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9