REMARK Name = BDB056013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.517 -0.358 -1.063 0.00 0.00 +0.120 A ATOM 2 N LIG 1 0.079 0.151 0.057 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -0.386 0.366 0.933 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 1.391 0.400 -0.085 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 1.666 0.036 -1.350 0.00 0.00 +0.094 A ATOM 6 C LIG 1 0.488 -0.443 -1.996 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.019 0.155 -1.906 0.00 0.00 +0.002 A ATOM 8 C LIG 1 3.980 0.956 -1.272 0.00 0.00 +0.010 A ATOM 9 C LIG 1 5.270 1.082 -1.796 0.00 0.00 +0.006 A ATOM 10 C LIG 1 5.631 0.406 -2.968 0.00 0.00 -0.030 A ATOM 11 C LIG 1 4.679 -0.403 -3.601 0.00 0.00 +0.006 A ATOM 12 C LIG 1 3.386 -0.525 -3.076 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 7.032 0.523 -3.513 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 N LIG 1 7.956 -0.273 -2.731 0.00 0.00 -0.295 N ATOM 15 H LIG 1 7.632 -1.199 -2.500 0.00 0.00 +0.151 HD ATOM 16 C LIG 1 8.784 0.329 -1.799 0.00 0.00 +0.305 C ATOM 17 N LIG 1 9.507 -0.617 -1.111 0.00 0.00 -0.252 N ATOM 18 H LIG 1 9.487 -1.562 -1.453 0.00 0.00 +0.158 HD ATOM 19 O LIG 1 8.844 1.543 -1.665 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 10.379 -0.346 -0.075 0.00 0.00 +0.169 A ATOM 21 N LIG 1 10.582 0.843 0.498 0.00 0.00 -0.063 NA ATOM 22 O LIG 1 11.523 0.646 1.488 0.00 0.00 -0.358 OA ATOM 23 C LIG 1 11.882 -0.663 1.514 0.00 0.00 +0.136 A ATOM 24 C LIG 1 12.883 -1.047 2.523 0.00 0.00 +0.089 C ATOM 25 C LIG 1 11.183 -1.337 0.544 0.00 0.00 +0.091 A ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 26 ATOM 26 N LIG 1 -1.833 -0.678 -1.126 0.00 0.00 -0.285 N ATOM 27 H LIG 1 -2.237 -0.844 -2.042 0.00 0.00 +0.155 HD BRANCH 26 33 ATOM 28 C LIG 1 -3.100 1.368 3.057 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -3.446 0.549 1.853 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -4.711 0.115 1.743 0.00 0.00 -0.218 NA ATOM 31 C LIG 1 -5.038 -0.597 0.653 0.00 0.00 +0.127 A ATOM 32 C LIG 1 -4.088 -0.870 -0.317 0.00 0.00 +0.087 A ATOM 33 C LIG 1 -2.812 -0.365 -0.149 0.00 0.00 +0.129 A ATOM 34 N LIG 1 -2.478 0.339 0.947 0.00 0.00 -0.217 NA BRANCH 31 35 ATOM 35 N LIG 1 -6.348 -1.094 0.505 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -7.210 -0.947 1.697 0.00 0.00 +0.122 C ATOM 37 C LIG 1 -8.107 0.308 1.605 0.00 0.00 +0.103 C ATOM 38 N LIG 1 -8.972 0.367 0.401 0.00 0.00 -0.297 NA ATOM 39 C LIG 1 -8.526 -0.592 -0.631 0.00 0.00 +0.103 C ATOM 40 C LIG 1 -6.987 -0.656 -0.760 0.00 0.00 +0.122 C BRANCH 38 41 ATOM 41 C LIG 1 -10.404 0.190 0.701 0.00 0.00 +0.112 C BRANCH 41 42 ATOM 42 C LIG 1 -11.043 1.425 1.362 0.00 0.00 +0.171 C BRANCH 42 43 ATOM 43 O LIG 1 -11.219 2.469 0.408 0.00 0.00 -0.394 OA ATOM 44 H LIG 1 -11.415 3.280 0.906 0.00 0.00 +0.209 HD ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 38 41 ENDBRANCH 31 35 ENDBRANCH 26 33 ENDBRANCH 1 26 TORSDOF 10