REMARK Name = BDB057716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.669 3.405 -0.020 0.00 0.00 +0.160 A ATOM 2 C LIG 1 0.772 3.350 -0.165 0.00 0.00 +0.178 A ATOM 3 N LIG 1 1.399 2.133 -0.163 0.00 0.00 -0.295 N ATOM 4 C LIG 1 2.750 2.376 -0.313 0.00 0.00 +0.075 A ATOM 5 C LIG 1 2.837 3.759 -0.395 0.00 0.00 +0.140 A ATOM 6 C LIG 1 0.654 0.977 -0.010 0.00 0.00 +0.117 A ATOM 7 C LIG 1 -0.686 1.075 0.114 0.00 0.00 +0.063 A ATOM 8 N LIG 1 1.603 4.357 -0.319 0.00 0.00 -0.232 NA ATOM 9 N LIG 1 -1.359 2.293 0.092 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.548 -0.164 0.301 0.00 0.00 +0.043 C ATOM 11 C LIG 1 -2.166 -0.218 1.719 0.00 0.00 +0.032 C ATOM 12 C LIG 1 -3.279 -1.277 1.829 0.00 0.00 +0.077 C ATOM 13 N LIG 1 -4.291 -0.949 0.833 0.00 0.00 -0.289 N ATOM 14 C LIG 1 -3.698 -1.338 -0.444 0.00 0.00 +0.077 C ATOM 15 C LIG 1 -3.084 -2.711 -0.123 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -5.633 -1.268 1.105 0.00 0.00 +0.284 C ATOM 17 O LIG 1 -5.950 -1.889 2.118 0.00 0.00 -0.267 OA ATOM 18 C LIG 1 -2.801 -2.668 1.389 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -2.627 -0.294 -0.802 0.00 0.00 +0.032 C BRANCH 16 20 ATOM 20 C LIG 1 -6.589 -0.748 0.150 0.00 0.00 +0.217 A ATOM 21 N LIG 1 -6.451 0.399 -0.590 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -5.666 1.032 -0.553 0.00 0.00 +0.168 HD ATOM 23 C LIG 1 -7.584 0.516 -1.331 0.00 0.00 +0.222 A ATOM 24 N LIG 1 -8.381 -0.493 -1.073 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -7.764 -1.280 -0.123 0.00 0.00 -0.125 NA ENDBRANCH 16 20 ENDBRANCH 7 10 BRANCH 4 26 ATOM 26 C LIG 1 3.797 1.366 -0.340 0.00 0.00 +0.018 A ATOM 27 C LIG 1 4.835 1.382 0.588 0.00 0.00 +0.121 A ATOM 28 N LIG 1 5.842 0.475 0.629 0.00 0.00 -0.251 NA ATOM 29 C LIG 1 5.819 -0.501 -0.315 0.00 0.00 +0.106 A ATOM 30 C LIG 1 4.832 -0.595 -1.289 0.00 0.00 +0.032 A ATOM 31 C LIG 1 3.812 0.355 -1.302 0.00 0.00 +0.014 A BRANCH 29 32 ATOM 32 C LIG 1 6.913 -1.464 -0.244 0.00 0.00 +0.157 A ATOM 33 N LIG 1 7.905 -1.375 0.705 0.00 0.00 -0.343 N ATOM 34 H LIG 1 7.943 -0.647 1.406 0.00 0.00 +0.167 HD ATOM 35 C LIG 1 8.778 -2.408 0.516 0.00 0.00 +0.104 A ATOM 36 C LIG 1 8.275 -3.101 -0.558 0.00 0.00 +0.130 A ATOM 37 N LIG 1 7.125 -2.513 -1.022 0.00 0.00 -0.235 NA ENDBRANCH 29 32 ENDBRANCH 4 26 BRANCH 1 38 ATOM 38 N LIG 1 -1.351 4.593 -0.016 0.00 0.00 -0.340 N ATOM 39 H LIG 1 -0.848 5.364 -0.444 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -2.322 4.508 -0.284 0.00 0.00 +0.144 HD ENDBRANCH 1 38 TORSDOF 5