REMARK Name = BDB022650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.390 0.202 1.905 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.102 -1.284 1.416 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.967 -0.474 1.280 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.833 -0.667 2.089 0.00 0.00 -0.029 A ATOM 5 C LIG 1 0.841 -1.701 3.031 0.00 0.00 +0.005 A ATOM 6 C LIG 1 1.966 -2.511 3.171 0.00 0.00 +0.002 A ATOM 7 C LIG 1 3.091 -2.303 2.368 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 5.423 -1.643 0.547 0.00 0.00 +0.248 C ATOM 9 N LIG 1 4.190 -1.016 0.560 0.00 0.00 -0.281 N ATOM 10 H LIG 1 4.069 -0.237 -0.074 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 5.820 -2.518 1.305 0.00 0.00 -0.270 OA BRANCH 8 14 ATOM 12 C LIG 1 8.573 -0.449 -1.159 0.00 0.00 +0.034 A ATOM 13 C LIG 1 7.685 -0.905 -0.183 0.00 0.00 +0.036 A ATOM 14 C LIG 1 6.344 -1.153 -0.512 0.00 0.00 +0.039 A ATOM 15 C LIG 1 5.890 -0.971 -1.823 0.00 0.00 +0.013 A ATOM 16 C LIG 1 6.775 -0.526 -2.802 0.00 0.00 +0.003 A ATOM 17 C LIG 1 8.107 -0.266 -2.469 0.00 0.00 +0.023 A BRANCH 12 19 ATOM 18 C LIG 1 10.593 -0.188 0.294 0.00 0.00 +0.241 C ATOM 19 N LIG 1 9.934 -0.161 -0.919 0.00 0.00 -0.282 N ATOM 20 H LIG 1 10.472 0.114 -1.729 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 10.112 -0.431 1.392 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 12.839 0.206 1.219 0.00 0.00 +0.013 C ATOM 23 C LIG 1 12.040 0.147 0.146 0.00 0.00 +0.060 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 14 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -1.147 -0.287 0.774 0.00 0.00 -0.309 N ATOM 25 H LIG 1 -0.981 -1.262 0.546 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.418 0.122 0.427 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -2.980 1.344 0.839 0.00 0.00 -0.183 N ATOM 28 C LIG 1 -4.248 1.688 0.453 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -4.498 2.924 1.015 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -3.305 3.226 1.721 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -4.972 0.851 -0.329 0.00 0.00 -0.195 NA ATOM 32 C LIG 1 -4.415 -0.276 -0.684 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -2.377 2.269 1.621 0.00 0.00 -0.170 NA ATOM 34 N LIG 1 -3.142 -0.662 -0.326 0.00 0.00 -0.181 NA BRANCH 29 35 ATOM 35 C LIG 1 -5.747 3.743 0.899 0.00 0.00 +0.018 C ATOM 36 C LIG 1 -6.412 3.955 2.261 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -5.480 5.087 0.218 0.00 0.00 +0.012 C ENDBRANCH 29 35 BRANCH 32 38 ATOM 38 N LIG 1 -5.071 -1.182 -1.468 0.00 0.00 -0.310 N ATOM 39 H LIG 1 -4.426 -1.861 -1.853 0.00 0.00 +0.149 HD BRANCH 38 40 ATOM 40 C LIG 1 -6.234 -0.846 -2.279 0.00 0.00 +0.077 C ATOM 41 C LIG 1 -6.373 -1.841 -3.437 0.00 0.00 +0.050 C ATOM 42 C LIG 1 -6.892 -3.191 -2.960 0.00 0.00 +0.161 C ATOM 43 O LIG 1 -8.117 -3.035 -2.248 0.00 0.00 -0.380 OA ATOM 44 C LIG 1 -7.948 -2.247 -1.069 0.00 0.00 +0.161 C ATOM 45 C LIG 1 -7.509 -0.836 -1.431 0.00 0.00 +0.050 C ENDBRANCH 38 40 ENDBRANCH 32 38 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10