REMARK Name = BDB026478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.313 -3.015 -1.197 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.982 -2.612 -0.916 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -1.628 -1.781 -1.534 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.398 -3.304 0.221 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.274 -3.961 0.855 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.807 -3.959 -0.219 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.151 -2.433 -2.226 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 3.831 0.438 -0.558 0.00 0.00 +0.055 A ATOM 9 C LIG 1 4.215 -0.853 -0.889 0.00 0.00 +0.124 A ATOM 10 N LIG 1 3.385 -1.769 -1.446 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 2.097 -1.392 -1.666 0.00 0.00 +0.059 A ATOM 12 C LIG 1 1.622 -0.122 -1.330 0.00 0.00 +0.025 A ATOM 13 C LIG 1 2.501 0.801 -0.765 0.00 0.00 +0.016 A BRANCH 8 15 ATOM 14 O LIG 1 4.363 2.142 0.954 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 4.771 1.385 0.077 0.00 0.00 +0.248 C ATOM 16 N LIG 1 6.086 1.361 -0.347 0.00 0.00 -0.296 N ATOM 17 C LIG 1 7.081 2.391 0.008 0.00 0.00 +0.121 C ATOM 18 C LIG 1 7.757 2.019 -1.268 0.00 0.00 +0.049 C ATOM 19 C LIG 1 8.355 3.068 -2.142 0.00 0.00 +0.172 C ATOM 20 O LIG 1 9.605 2.319 -2.202 0.00 0.00 -0.378 OA ATOM 21 C LIG 1 9.097 1.358 -1.231 0.00 0.00 +0.172 C ATOM 22 C LIG 1 6.572 1.238 -1.735 0.00 0.00 +0.121 C ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -2.611 -2.959 0.949 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 C LIG 1 -2.484 -1.663 1.776 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -1.656 -1.929 2.924 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -1.450 -1.060 3.315 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -3.869 -1.170 2.272 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -4.408 0.007 1.560 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.628 0.480 2.251 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.381 1.570 1.518 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.198 1.778 0.140 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -6.950 2.754 -0.527 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -7.902 3.503 0.165 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.097 3.291 1.529 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.142 0.996 -0.597 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.341 2.330 2.201 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.719 -0.278 0.149 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8