REMARK Name = BDB000280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.551 -0.397 0.443 0.00 0.00 -0.011 A ATOM 2 C LIG 1 0.162 -0.321 0.667 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.666 -1.447 0.553 0.00 0.00 +0.079 A ATOM 4 N LIG 1 -2.067 -1.408 0.814 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -2.846 -2.541 0.564 0.00 0.00 +0.260 C ATOM 6 C LIG 1 -2.128 -3.628 -0.247 0.00 0.00 +0.256 C ATOM 7 O LIG 1 -0.764 -3.841 0.089 0.00 0.00 -0.478 OA ATOM 8 C LIG 1 -2.842 -4.968 -0.112 0.00 0.00 +0.062 C ATOM 9 O LIG 1 -4.033 -2.627 0.881 0.00 0.00 -0.271 OA ATOM 10 C LIG 1 -0.069 -2.667 0.203 0.00 0.00 +0.143 A ATOM 11 C LIG 1 1.309 -2.767 0.006 0.00 0.00 +0.048 A ATOM 12 C LIG 1 2.115 -1.637 0.121 0.00 0.00 +0.012 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 2.825 1.550 -0.527 0.00 0.00 +0.056 A ATOM 14 C LIG 1 2.389 0.804 0.565 0.00 0.00 +0.043 A ATOM 15 C LIG 1 2.800 1.297 1.805 0.00 0.00 +0.129 A ATOM 16 N LIG 1 3.550 2.398 1.957 0.00 0.00 -0.199 NA ATOM 17 C LIG 1 3.906 3.041 0.847 0.00 0.00 +0.214 A ATOM 18 N LIG 1 3.595 2.656 -0.390 0.00 0.00 -0.219 NA BRANCH 15 19 ATOM 19 N LIG 1 2.402 0.691 3.002 0.00 0.00 -0.343 N ATOM 20 H LIG 1 2.593 -0.305 3.008 0.00 0.00 +0.144 HD ATOM 21 H LIG 1 2.865 1.181 3.764 0.00 0.00 +0.144 HD ENDBRANCH 15 19 BRANCH 17 22 ATOM 22 N LIG 1 4.694 4.164 0.982 0.00 0.00 -0.327 N ATOM 23 H LIG 1 5.203 4.130 1.853 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 5.222 4.316 0.135 0.00 0.00 +0.145 HD ENDBRANCH 17 22 BRANCH 13 26 ATOM 25 C LIG 1 3.613 0.464 -2.648 0.00 0.00 +0.010 C ATOM 26 C LIG 1 2.477 1.199 -1.954 0.00 0.00 +0.053 C ENDBRANCH 13 26 ENDBRANCH 1 14 BRANCH 4 27 ATOM 27 C LIG 1 -2.721 -0.253 1.424 0.00 0.00 +0.116 C BRANCH 27 28 ATOM 28 C LIG 1 -3.558 0.568 0.439 0.00 0.00 +0.047 C BRANCH 28 29 ATOM 29 C LIG 1 -2.721 1.294 -0.610 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 O LIG 1 -3.546 2.000 -1.538 0.00 0.00 -0.383 OA ATOM 31 C LIG 1 -3.986 3.262 -1.054 0.00 0.00 +0.193 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 8