REMARK Name = BDB026467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.744 1.518 2.909 0.00 0.00 -0.278 N ATOM 2 C LIG 1 0.129 0.595 2.082 0.00 0.00 +0.305 C ATOM 3 O LIG 1 0.542 0.209 1.000 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.045 0.167 2.711 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -1.008 0.571 4.104 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.043 1.670 4.159 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.073 2.054 2.670 0.00 0.00 +0.165 C BRANCH 7 9 ATOM 8 C LIG 1 4.188 0.723 2.183 0.00 0.00 +0.060 A ATOM 9 C LIG 1 3.166 1.079 3.065 0.00 0.00 +0.071 A ATOM 10 N LIG 1 3.105 0.561 4.330 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 4.065 -0.317 4.700 0.00 0.00 +0.111 A ATOM 12 C LIG 1 5.106 -0.715 3.879 0.00 0.00 +0.020 A ATOM 13 C LIG 1 5.172 -0.181 2.598 0.00 0.00 +0.016 A BRANCH 8 15 ATOM 14 O LIG 1 4.562 2.528 0.798 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 4.297 1.329 0.847 0.00 0.00 +0.248 C ATOM 16 N LIG 1 4.118 0.521 -0.271 0.00 0.00 -0.297 N ATOM 17 C LIG 1 3.559 -0.836 -0.226 0.00 0.00 +0.108 C ATOM 18 C LIG 1 2.673 -1.125 -1.434 0.00 0.00 +0.019 C ATOM 19 C LIG 1 3.419 -0.938 -2.755 0.00 0.00 +0.003 C ATOM 20 C LIG 1 4.553 0.083 -2.664 0.00 0.00 +0.019 C ATOM 21 C LIG 1 4.290 1.129 -1.587 0.00 0.00 +0.108 C ENDBRANCH 8 15 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -1.778 -1.031 2.314 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 C LIG 1 -2.241 -1.102 0.839 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -1.151 -1.498 -0.003 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -0.432 -0.843 0.142 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -2.885 0.222 0.356 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.710 0.199 -0.867 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -2.955 -0.217 -2.061 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -3.802 -0.205 -3.320 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -5.204 -0.306 -3.245 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -5.964 -0.335 -4.421 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.337 -0.288 -5.666 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.948 -0.207 -5.744 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.886 -0.314 -1.899 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -3.183 -0.169 -4.578 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.923 -0.614 -0.740 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8