REMARK Name = BDB030711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.822 0.224 -0.284 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -3.352 1.464 -0.739 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -2.451 2.461 -1.128 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.068 2.264 -1.048 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -0.555 1.051 -0.576 0.00 0.00 +0.069 A ATOM 6 C LIG 1 -1.439 0.030 -0.195 0.00 0.00 +0.053 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -4.748 1.643 -0.757 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -5.372 2.371 -1.881 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -5.622 3.873 -1.601 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -6.266 4.133 -0.297 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -6.403 5.569 -0.064 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.467 3.503 0.774 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -5.328 1.980 0.567 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 5 14 ATOM 14 N LIG 1 0.846 0.841 -0.486 0.00 0.00 -0.219 N ATOM 15 N LIG 1 1.375 -0.323 -0.030 0.00 0.00 -0.060 NA ATOM 16 N LIG 1 2.697 -0.229 -0.054 0.00 0.00 -0.124 NA ATOM 17 C LIG 1 3.026 1.011 -0.535 0.00 0.00 +0.167 A ATOM 18 C LIG 1 1.867 1.702 -0.816 0.00 0.00 +0.149 A BRANCH 17 19 ATOM 19 C LIG 1 4.394 1.469 -0.710 0.00 0.00 +0.266 C ATOM 20 N LIG 1 5.339 0.550 -0.305 0.00 0.00 -0.310 N ATOM 21 H LIG 1 4.994 -0.374 -0.066 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 4.671 2.565 -1.187 0.00 0.00 -0.268 OA BRANCH 20 23 ATOM 23 C LIG 1 6.747 0.748 -0.563 0.00 0.00 +0.106 C BRANCH 23 24 ATOM 24 C LIG 1 7.608 -0.191 0.276 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 9.097 0.028 -0.016 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 N LIG 1 9.973 -0.785 0.840 0.00 0.00 -0.298 NA ATOM 27 C LIG 1 11.398 -0.423 0.668 0.00 0.00 +0.112 C ATOM 28 C LIG 1 12.166 -1.381 -0.257 0.00 0.00 +0.175 C ATOM 29 O LIG 1 12.162 -2.738 0.204 0.00 0.00 -0.377 OA ATOM 30 C LIG 1 11.022 -3.051 1.017 0.00 0.00 +0.175 C ATOM 31 C LIG 1 9.779 -2.237 0.627 0.00 0.00 +0.112 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 17 19 ENDBRANCH 5 14 BRANCH 1 33 ATOM 32 C LIG 1 -3.578 -2.053 0.510 0.00 0.00 +0.272 C ATOM 33 N LIG 1 -3.776 -0.778 0.013 0.00 0.00 -0.278 N ATOM 34 H LIG 1 -4.724 -0.479 -0.213 0.00 0.00 +0.155 HD ATOM 35 O LIG 1 -2.481 -2.507 0.827 0.00 0.00 -0.268 OA BRANCH 32 39 ATOM 36 C LIG 1 -6.903 -4.586 1.054 0.00 0.00 +0.236 A ATOM 37 N LIG 1 -7.169 -3.389 0.488 0.00 0.00 -0.175 NA ATOM 38 C LIG 1 -6.099 -2.567 0.306 0.00 0.00 +0.249 A ATOM 39 C LIG 1 -4.799 -2.926 0.685 0.00 0.00 +0.187 A ATOM 40 N LIG 1 -4.553 -4.143 1.260 0.00 0.00 -0.240 NA ATOM 41 C LIG 1 -5.623 -4.953 1.432 0.00 0.00 +0.179 A BRANCH 36 43 ATOM 42 C LIG 1 -9.192 -5.023 0.853 0.00 0.00 +0.279 C ATOM 43 O LIG 1 -7.917 -5.491 1.279 0.00 0.00 -0.479 OA ENDBRANCH 36 43 BRANCH 38 44 ATOM 44 O LIG 1 -6.330 -1.333 -0.266 0.00 0.00 -0.478 OA ATOM 45 C LIG 1 -7.682 -1.122 -0.667 0.00 0.00 +0.279 C ENDBRANCH 38 44 ENDBRANCH 32 39 ENDBRANCH 1 33 TORSDOF 11