REMARK Name = BDB004397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.598 -0.591 0.185 0.00 0.00 +0.190 C ATOM 2 C LIG 1 -1.827 -2.053 0.597 0.00 0.00 +0.258 C ATOM 3 O LIG 1 -1.718 -3.042 -0.116 0.00 0.00 -0.272 OA ATOM 4 N LIG 1 -2.223 -2.080 1.899 0.00 0.00 -0.238 N ATOM 5 H LIG 1 -2.550 -2.904 2.374 0.00 0.00 +0.159 HD ATOM 6 C LIG 1 -2.488 -0.825 2.327 0.00 0.00 +0.307 C ATOM 7 O LIG 1 -3.107 -0.538 3.336 0.00 0.00 -0.252 OA ATOM 8 N LIG 1 -2.013 0.071 1.402 0.00 0.00 -0.274 N ATOM 9 H LIG 1 -2.365 1.025 1.415 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -0.171 -0.334 -0.062 0.00 0.00 -0.060 C ATOM 11 C LIG 1 0.995 -0.123 -0.264 0.00 0.00 -0.064 C BRANCH 11 12 ATOM 12 C LIG 1 2.382 0.128 -0.503 0.00 0.00 +0.025 A ATOM 13 C LIG 1 3.168 -0.834 -1.138 0.00 0.00 +0.017 A ATOM 14 C LIG 1 4.524 -0.588 -1.371 0.00 0.00 +0.005 A ATOM 15 C LIG 1 5.110 0.619 -0.968 0.00 0.00 -0.045 A ATOM 16 C LIG 1 4.309 1.579 -0.332 0.00 0.00 +0.005 A ATOM 17 C LIG 1 2.953 1.335 -0.101 0.00 0.00 +0.017 A BRANCH 15 18 ATOM 18 C LIG 1 6.578 0.887 -1.206 0.00 0.00 +0.070 C BRANCH 18 19 ATOM 19 C LIG 1 7.559 0.308 -0.168 0.00 0.00 +0.113 C ATOM 20 C LIG 1 7.919 -1.159 -0.486 0.00 0.00 +0.244 C ATOM 21 O LIG 1 7.173 -2.125 -0.431 0.00 0.00 -0.273 OA ATOM 22 N LIG 1 9.230 -1.228 -0.845 0.00 0.00 -0.238 N ATOM 23 H LIG 1 9.717 -2.078 -1.071 0.00 0.00 +0.159 HD ATOM 24 C LIG 1 9.825 -0.021 -0.740 0.00 0.00 +0.307 C ATOM 25 O LIG 1 11.001 0.226 -0.937 0.00 0.00 -0.252 OA ATOM 26 N LIG 1 8.880 0.897 -0.359 0.00 0.00 -0.285 N ATOM 27 H LIG 1 9.130 1.865 -0.202 0.00 0.00 +0.151 HD ATOM 28 C LIG 1 7.136 0.450 1.290 0.00 0.00 +0.042 C ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 1 10 BRANCH 1 29 ATOM 29 C LIG 1 -2.453 -0.246 -1.054 0.00 0.00 +0.157 C BRANCH 29 34 ATOM 30 C LIG 1 -8.282 0.514 0.391 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -7.026 1.118 0.443 0.00 0.00 +0.059 A ATOM 32 C LIG 1 -5.966 0.420 -0.107 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -4.554 0.809 -0.184 0.00 0.00 +0.247 C ATOM 34 N LIG 1 -3.895 -0.221 -0.832 0.00 0.00 -0.290 N ATOM 35 C LIG 1 -4.774 -1.329 -1.175 0.00 0.00 +0.144 C ATOM 36 O LIG 1 -4.067 1.829 0.265 0.00 0.00 -0.270 OA ATOM 37 C LIG 1 -6.099 -0.840 -0.694 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -7.338 -1.446 -0.751 0.00 0.00 +0.009 A ATOM 39 C LIG 1 -8.429 -0.757 -0.205 0.00 0.00 +0.046 A BRANCH 30 41 ATOM 40 C LIG 1 -9.349 2.307 1.531 0.00 0.00 +0.277 C ATOM 41 O LIG 1 -9.445 1.046 0.878 0.00 0.00 -0.495 OA ENDBRANCH 30 41 ENDBRANCH 29 34 ENDBRANCH 1 29 TORSDOF 7