REMARK Name = BDB050670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.049 1.893 1.025 0.00 0.00 +0.173 C ATOM 2 C LIG 1 -0.613 2.378 1.306 0.00 0.00 +0.238 C ATOM 3 O LIG 1 -0.166 3.417 0.814 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.224 1.463 1.947 0.00 0.00 -0.285 N ATOM 5 C LIG 1 0.435 1.641 3.380 0.00 0.00 +0.078 C ATOM 6 C LIG 1 1.640 0.746 3.659 0.00 0.00 +0.025 C ATOM 7 C LIG 1 2.520 0.961 2.439 0.00 0.00 +0.034 C ATOM 8 C LIG 1 -0.723 1.280 4.315 0.00 0.00 +0.038 C ATOM 9 C LIG 1 -1.979 2.139 4.134 0.00 0.00 +0.086 C ATOM 10 N LIG 1 -3.046 1.472 3.384 0.00 0.00 -0.303 NA ATOM 11 C LIG 1 -4.225 2.336 3.275 0.00 0.00 +0.105 C ATOM 12 C LIG 1 1.533 1.250 1.302 0.00 0.00 +0.162 C ATOM 13 C LIG 1 -2.649 0.931 2.071 0.00 0.00 +0.115 C ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 -3.141 1.215 -1.096 0.00 0.00 +0.230 C ATOM 15 N LIG 1 -2.019 1.263 -0.298 0.00 0.00 -0.302 N ATOM 16 H LIG 1 -1.217 0.669 -0.511 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 -4.204 1.732 -0.752 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -2.974 0.522 -2.468 0.00 0.00 +0.137 C ATOM 19 C LIG 1 -2.140 -0.757 -2.433 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 -1.391 2.282 -3.185 0.00 0.00 +0.101 C ATOM 21 N LIG 1 -2.535 1.453 -3.535 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 -2.313 0.908 -4.367 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 12 23 ATOM 23 C LIG 1 1.430 0.134 0.235 0.00 0.00 +0.234 C ATOM 24 N LIG 1 2.641 -0.262 -0.296 0.00 0.00 -0.303 N ATOM 25 H LIG 1 3.486 0.070 0.145 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 0.345 -0.289 -0.161 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 C LIG 1 2.821 -1.417 -1.176 0.00 0.00 +0.134 C BRANCH 27 28 ATOM 28 C LIG 1 2.687 -2.709 -0.375 0.00 0.00 -0.023 A ATOM 29 C LIG 1 1.436 -3.229 -0.002 0.00 0.00 +0.006 A ATOM 30 C LIG 1 1.341 -4.397 0.756 0.00 0.00 +0.000 A ATOM 31 C LIG 1 2.495 -5.062 1.160 0.00 0.00 +0.000 A ATOM 32 C LIG 1 3.745 -4.562 0.806 0.00 0.00 +0.000 A ATOM 33 C LIG 1 3.842 -3.393 0.046 0.00 0.00 +0.006 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 2.113 -1.322 -2.527 0.00 0.00 -0.023 A ATOM 35 C LIG 1 1.969 -0.075 -3.165 0.00 0.00 +0.006 A ATOM 36 C LIG 1 1.399 0.029 -4.437 0.00 0.00 +0.000 A ATOM 37 C LIG 1 0.968 -1.113 -5.104 0.00 0.00 +0.000 A ATOM 38 C LIG 1 1.122 -2.360 -4.505 0.00 0.00 +0.000 A ATOM 39 C LIG 1 1.701 -2.464 -3.236 0.00 0.00 +0.006 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 12 23 TORSDOF 7