REMARK Name = BDB021674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.703 -0.348 0.830 0.00 0.00 +0.163 C ATOM 2 C LIG 1 1.181 -0.444 0.902 0.00 0.00 +0.237 C ATOM 3 O LIG 1 0.586 -1.524 0.901 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.511 0.757 0.877 0.00 0.00 -0.281 N ATOM 5 C LIG 1 1.074 2.080 1.184 0.00 0.00 +0.112 C ATOM 6 C LIG 1 -0.190 2.979 1.201 0.00 0.00 +0.036 C ATOM 7 C LIG 1 -1.356 2.050 1.576 0.00 0.00 -0.006 C ATOM 8 C LIG 1 -2.700 2.642 1.140 0.00 0.00 +0.013 C ATOM 9 C LIG 1 -1.399 1.826 3.102 0.00 0.00 +0.013 C ATOM 10 C LIG 1 2.188 2.608 0.276 0.00 0.00 +0.021 A ATOM 11 C LIG 1 3.027 1.794 -0.527 0.00 0.00 -0.036 A ATOM 12 C LIG 1 3.958 2.392 -1.416 0.00 0.00 +0.008 A ATOM 13 C LIG 1 4.133 3.769 -1.478 0.00 0.00 +0.049 A ATOM 14 C LIG 1 3.397 4.559 -0.625 0.00 0.00 +0.159 A ATOM 15 C LIG 1 2.474 3.990 0.255 0.00 0.00 +0.164 A ATOM 16 C LIG 1 -0.953 0.747 0.866 0.00 0.00 +0.168 C ATOM 17 C LIG 1 3.026 0.277 -0.526 0.00 0.00 +0.067 C ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 3.561 -2.231 2.183 0.00 0.00 +0.230 C ATOM 19 N LIG 1 3.264 -1.689 0.947 0.00 0.00 -0.302 N ATOM 20 H LIG 1 3.024 -2.377 0.238 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 3.600 -1.562 3.213 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 3.762 -3.764 2.151 0.00 0.00 +0.137 C ATOM 23 C LIG 1 4.429 -4.279 3.424 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 5.825 -3.786 0.804 0.00 0.00 +0.101 C ATOM 25 N LIG 1 4.428 -4.204 0.896 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 4.397 -5.223 0.859 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 16 27 ATOM 27 C LIG 1 -1.432 0.639 -0.601 0.00 0.00 +0.235 C ATOM 28 N LIG 1 -2.636 -0.016 -0.746 0.00 0.00 -0.307 N ATOM 29 H LIG 1 -3.095 -0.419 0.060 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 -0.824 1.131 -1.549 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 -3.269 -0.193 -2.045 0.00 0.00 +0.103 C ATOM 32 C LIG 1 -4.106 -1.462 -2.064 0.00 0.00 -0.024 A ATOM 33 C LIG 1 -5.398 -1.486 -2.626 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -6.134 -2.682 -2.624 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.585 -3.855 -2.107 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.295 -3.848 -1.588 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.032 -0.245 -3.205 0.00 0.00 +0.035 C ATOM 38 C LIG 1 -5.005 0.824 -3.566 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -3.558 -2.664 -1.573 0.00 0.00 +0.006 A ATOM 40 C LIG 1 -4.076 1.070 -2.385 0.00 0.00 +0.027 C ENDBRANCH 28 31 ENDBRANCH 16 27 BRANCH 14 41 ATOM 41 O LIG 1 3.587 5.911 -0.639 0.00 0.00 -0.503 OA ATOM 42 H LIG 1 2.865 6.272 -0.090 0.00 0.00 +0.292 HD ENDBRANCH 14 41 BRANCH 15 43 ATOM 43 O LIG 1 1.904 4.865 1.147 0.00 0.00 -0.503 OA ATOM 44 H LIG 1 2.382 4.717 1.985 0.00 0.00 +0.292 HD ENDBRANCH 15 43 TORSDOF 7