REMARK Name = BDB062415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.370 0.501 -2.183 0.00 0.00 +0.159 C ATOM 2 C LIG 1 2.721 1.163 -1.843 0.00 0.00 +0.234 C ATOM 3 O LIG 1 3.262 1.928 -2.645 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 3.326 0.938 -0.646 0.00 0.00 -0.299 N ATOM 5 H LIG 1 4.250 1.355 -0.608 0.00 0.00 +0.150 HD ATOM 6 C LIG 1 3.022 -0.035 0.409 0.00 0.00 +0.189 C ATOM 7 C LIG 1 3.729 -1.389 0.119 0.00 0.00 +0.238 C ATOM 8 O LIG 1 4.766 -1.461 -0.545 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 3.206 -2.551 0.621 0.00 0.00 -0.313 N ATOM 10 H LIG 1 3.771 -3.364 0.398 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 2.035 -2.749 1.458 0.00 0.00 +0.104 C ATOM 12 C LIG 1 0.935 -3.478 0.688 0.00 0.00 +0.019 C ATOM 13 C LIG 1 -0.365 -3.620 1.489 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -1.177 -2.323 1.592 0.00 0.00 +0.032 C ATOM 15 C LIG 1 -1.934 -1.953 0.300 0.00 0.00 +0.159 C ATOM 16 C LIG 1 -2.111 -0.428 0.263 0.00 0.00 +0.234 C ATOM 17 O LIG 1 -2.870 0.169 1.021 0.00 0.00 -0.274 OA ATOM 18 N LIG 1 -1.294 0.205 -0.653 0.00 0.00 -0.302 N ATOM 19 H LIG 1 -1.168 -0.291 -1.530 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 -1.230 1.667 -0.725 0.00 0.00 +0.159 C ATOM 21 C LIG 1 -0.610 2.173 -2.044 0.00 0.00 +0.234 C ATOM 22 O LIG 1 -1.027 3.217 -2.556 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 0.455 1.567 -2.628 0.00 0.00 -0.302 N ATOM 24 H LIG 1 0.830 2.139 -3.383 0.00 0.00 +0.150 HD ENDROOT BRANCH 6 25 ATOM 25 C LIG 1 3.454 0.526 1.756 0.00 0.00 -0.018 A ATOM 26 C LIG 1 4.813 0.666 2.086 0.00 0.00 +0.006 A ATOM 27 C LIG 1 5.196 1.195 3.318 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.232 1.595 4.238 0.00 0.00 +0.000 A ATOM 29 C LIG 1 2.881 1.469 3.925 0.00 0.00 +0.000 A ATOM 30 C LIG 1 2.495 0.938 2.693 0.00 0.00 +0.006 A ENDBRANCH 6 25 BRANCH 15 31 ATOM 31 N LIG 1 -3.251 -2.566 0.267 0.00 0.00 -0.304 N ATOM 32 H LIG 1 -3.979 -2.147 0.834 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -3.523 -3.671 -0.505 0.00 0.00 +0.216 C ATOM 34 O LIG 1 -2.676 -4.195 -1.221 0.00 0.00 -0.276 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.963 -4.165 -0.399 0.00 0.00 +0.069 C ATOM 36 C LIG 1 -5.914 -3.170 -1.061 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.112 -5.547 -1.031 0.00 0.00 +0.017 C ENDBRANCH 33 35 ENDBRANCH 15 31 BRANCH 1 39 ATOM 38 C LIG 1 2.358 -1.712 -3.022 0.00 0.00 +0.006 C ATOM 39 C LIG 1 1.524 -0.487 -3.350 0.00 0.00 +0.028 C ENDBRANCH 1 39 BRANCH 20 40 ATOM 40 C LIG 1 -0.459 2.229 0.482 0.00 0.00 +0.033 C BRANCH 40 41 ATOM 41 C LIG 1 -0.303 3.753 0.531 0.00 0.00 +0.023 C BRANCH 41 42 ATOM 42 C LIG 1 -1.626 4.511 0.452 0.00 0.00 +0.115 C BRANCH 42 43 ATOM 43 N LIG 1 -1.413 5.941 0.499 0.00 0.00 -0.356 N ATOM 44 H LIG 1 -1.633 6.380 1.383 0.00 0.00 +0.162 HD BRANCH 43 45 ATOM 45 C LIG 1 -0.894 6.731 -0.462 0.00 0.00 +0.188 C ATOM 46 N LIG 1 -0.742 7.999 -0.318 0.00 0.00 -0.269 NA ATOM 47 H LIG 1 -1.079 8.274 0.604 0.00 0.00 +0.190 HD BRANCH 45 48 ATOM 48 N LIG 1 -0.494 6.156 -1.607 0.00 0.00 -0.370 N ATOM 49 H LIG 1 -0.286 6.855 -2.312 0.00 0.00 +0.159 HD ATOM 50 H LIG 1 -1.067 5.407 -1.979 0.00 0.00 +0.159 HD ENDBRANCH 45 48 ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 20 40 TORSDOF 10