REMARK Name = BDB000214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.414 -5.420 -2.356 0.00 0.00 +0.045 C ATOM 2 C LIG 1 4.165 -4.605 -2.145 0.00 0.00 -0.029 A ATOM 3 C LIG 1 4.222 -3.240 -1.775 0.00 0.00 +0.038 A ATOM 4 C LIG 1 3.009 -2.555 -1.571 0.00 0.00 +0.047 A ATOM 5 C LIG 1 1.769 -3.180 -1.748 0.00 0.00 +0.035 A ATOM 6 C LIG 1 1.737 -4.527 -2.112 0.00 0.00 +0.024 A ATOM 7 C LIG 1 2.921 -5.231 -2.315 0.00 0.00 +0.007 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 0.525 -2.543 -1.552 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -0.290 -3.135 -1.640 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.291 -1.192 -1.377 0.00 0.00 +0.248 C ATOM 11 O LIG 1 1.099 -0.281 -1.499 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -1.123 -0.842 -1.062 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -1.650 0.348 -1.573 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -2.969 0.708 -1.289 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.773 -0.106 -0.478 0.00 0.00 -0.033 A ATOM 16 C LIG 1 -3.234 -1.292 0.042 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -1.915 -1.657 -0.242 0.00 0.00 +0.013 A BRANCH 15 18 ATOM 18 C LIG 1 -5.207 0.286 -0.179 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 -5.334 1.625 0.403 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 -4.785 1.725 1.761 0.00 0.00 +0.100 C ATOM 21 C LIG 1 -4.851 3.171 2.327 0.00 0.00 +0.099 C ATOM 22 N LIG 1 -5.930 4.012 1.775 0.00 0.00 -0.303 NA ATOM 23 C LIG 1 -6.281 5.099 2.678 0.00 0.00 +0.105 C ATOM 24 C LIG 1 -7.090 3.193 1.412 0.00 0.00 +0.099 C ATOM 25 C LIG 1 -6.739 2.083 0.384 0.00 0.00 +0.100 C ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 5 8 BRANCH 3 26 ATOM 26 N LIG 1 5.473 -2.643 -1.547 0.00 0.00 -0.283 N ATOM 27 H LIG 1 6.272 -3.071 -1.987 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 5.892 -1.471 -0.925 0.00 0.00 +0.220 A ATOM 29 N LIG 1 5.059 -0.705 -0.211 0.00 0.00 -0.214 NA ATOM 30 C LIG 1 5.551 0.399 0.396 0.00 0.00 +0.077 A ATOM 31 C LIG 1 6.882 0.746 0.292 0.00 0.00 +0.048 A ATOM 32 C LIG 1 7.666 -0.097 -0.454 0.00 0.00 +0.116 A ATOM 33 N LIG 1 7.201 -1.203 -1.059 0.00 0.00 -0.223 NA BRANCH 30 34 ATOM 34 C LIG 1 4.573 1.198 1.153 0.00 0.00 +0.019 A ATOM 35 C LIG 1 4.895 1.872 2.332 0.00 0.00 +0.120 A ATOM 36 N LIG 1 4.037 2.633 3.060 0.00 0.00 -0.263 NA ATOM 37 C LIG 1 2.772 2.720 2.599 0.00 0.00 +0.111 A ATOM 38 C LIG 1 2.330 2.088 1.451 0.00 0.00 +0.020 A ATOM 39 C LIG 1 3.244 1.323 0.728 0.00 0.00 +0.013 A ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 3 26 TORSDOF 7