REMARK Name = BDB041037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.544 -1.925 -0.125 0.00 0.00 +0.083 C ATOM 2 C LIG 1 1.691 -1.450 0.810 0.00 0.00 +0.171 C ATOM 3 C LIG 1 2.777 -2.539 1.033 0.00 0.00 +0.240 C ATOM 4 O LIG 1 3.973 -2.256 1.149 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 2.365 -3.841 1.189 0.00 0.00 -0.269 N ATOM 6 H LIG 1 3.066 -4.527 1.439 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 1.124 -4.205 0.734 0.00 0.00 +0.127 A ATOM 8 N LIG 1 0.571 -5.451 0.746 0.00 0.00 -0.253 N ATOM 9 C LIG 1 1.114 -6.664 1.307 0.00 0.00 +0.174 C ATOM 10 N LIG 1 -0.617 -5.495 0.115 0.00 0.00 -0.175 NA ATOM 11 C LIG 1 -0.830 -4.234 -0.293 0.00 0.00 +0.066 A ATOM 12 C LIG 1 -2.053 -3.919 -1.075 0.00 0.00 +0.068 C ATOM 13 C LIG 1 0.229 -3.372 0.105 0.00 0.00 +0.025 A ENDROOT BRANCH 1 17 ATOM 14 C LIG 1 -3.106 0.341 0.354 0.00 0.00 +0.162 A ATOM 15 C LIG 1 -2.427 0.373 -0.872 0.00 0.00 +0.162 A ATOM 16 C LIG 1 -1.248 -0.368 -1.003 0.00 0.00 +0.053 A ATOM 17 C LIG 1 -0.751 -1.149 0.063 0.00 0.00 -0.034 A ATOM 18 C LIG 1 -1.464 -1.168 1.274 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -2.642 -0.437 1.414 0.00 0.00 +0.050 A BRANCH 15 20 ATOM 20 O LIG 1 -2.991 1.135 -1.861 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -2.284 1.244 -3.087 0.00 0.00 +0.277 C ENDBRANCH 15 20 BRANCH 14 22 ATOM 22 O LIG 1 -4.281 1.026 0.544 0.00 0.00 -0.488 OA BRANCH 22 23 ATOM 23 C LIG 1 -4.004 2.398 0.855 0.00 0.00 +0.229 C BRANCH 23 25 ATOM 24 C LIG 1 -5.149 4.556 1.478 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -5.335 3.090 1.131 0.00 0.00 +0.038 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 14 22 ENDBRANCH 1 17 BRANCH 2 26 ATOM 26 N LIG 1 2.395 -0.264 0.292 0.00 0.00 -0.299 N ATOM 27 H LIG 1 3.386 -0.399 0.113 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 1.989 1.012 0.617 0.00 0.00 +0.245 C ATOM 29 O LIG 1 0.980 1.253 1.268 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 2.876 2.123 0.168 0.00 0.00 +0.037 A ATOM 31 C LIG 1 3.749 1.988 -0.921 0.00 0.00 +0.016 A ATOM 32 C LIG 1 4.560 3.061 -1.320 0.00 0.00 -0.050 A ATOM 33 C LIG 1 5.520 2.904 -2.463 0.00 0.00 +0.044 C ATOM 34 C LIG 1 4.500 4.265 -0.607 0.00 0.00 +0.003 A ATOM 35 C LIG 1 3.621 4.409 0.467 0.00 0.00 +0.001 A ATOM 36 C LIG 1 2.806 3.344 0.850 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 7