REMARK Name = BDB058022 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.254 -0.939 -0.388 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.299 -1.438 0.392 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -2.346 -0.595 0.771 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.368 0.743 0.351 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -1.317 1.232 -0.437 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.268 0.392 -0.818 0.00 0.00 +0.013 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.449 1.655 0.738 0.00 0.00 +0.058 C ATOM 8 C LIG 1 -4.752 1.382 0.592 0.00 0.00 +0.176 C ATOM 9 C LIG 1 -5.832 2.324 0.978 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -5.745 3.427 1.469 0.00 0.00 -0.283 OA ATOM 11 C LIG 1 -7.042 1.594 0.620 0.00 0.00 +0.068 A ATOM 12 C LIG 1 -6.652 0.366 0.081 0.00 0.00 +0.152 A ATOM 13 C LIG 1 -7.596 -0.546 -0.353 0.00 0.00 +0.079 A ATOM 14 C LIG 1 -8.951 -0.181 -0.220 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -9.329 1.063 0.326 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -8.364 1.972 0.755 0.00 0.00 +0.015 A ATOM 17 O LIG 1 -5.282 0.217 0.054 0.00 0.00 -0.451 OA BRANCH 13 18 ATOM 18 C LIG 1 -7.272 -1.873 -0.939 0.00 0.00 +0.245 C ATOM 19 O LIG 1 -8.157 -2.665 -1.240 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -5.960 -2.189 -1.143 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -5.754 -3.080 -1.577 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -5.192 -1.555 -0.966 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 4 7 BRANCH 1 27 ATOM 23 N LIG 1 4.937 -0.924 -0.125 0.00 0.00 -0.297 N ATOM 24 C LIG 1 3.919 0.043 0.311 0.00 0.00 +0.127 C ATOM 25 C LIG 1 2.564 -0.649 0.538 0.00 0.00 +0.127 C ATOM 26 N LIG 1 2.153 -1.476 -0.606 0.00 0.00 -0.295 N ATOM 27 C LIG 1 0.827 -1.858 -0.811 0.00 0.00 +0.247 C ATOM 28 O LIG 1 0.496 -2.910 -1.353 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 3.184 -2.420 -1.049 0.00 0.00 +0.127 C ATOM 30 C LIG 1 4.548 -1.748 -1.282 0.00 0.00 +0.127 C BRANCH 23 33 ATOM 31 C LIG 1 7.777 1.190 0.396 0.00 0.00 +0.219 A ATOM 32 N LIG 1 6.526 0.707 0.496 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 6.220 -0.378 -0.233 0.00 0.00 +0.221 A ATOM 34 N LIG 1 7.114 -0.975 -1.041 0.00 0.00 -0.223 NA ATOM 35 C LIG 1 8.353 -0.454 -1.111 0.00 0.00 +0.119 A ATOM 36 C LIG 1 8.747 0.648 -0.403 0.00 0.00 +0.087 A BRANCH 31 38 ATOM 37 C LIG 1 7.109 2.787 1.975 0.00 0.00 +0.279 C ATOM 38 O LIG 1 8.145 2.307 1.124 0.00 0.00 -0.480 OA ENDBRANCH 31 38 ENDBRANCH 23 33 ENDBRANCH 1 27 TORSDOF 5