REMARK Name = BDB014027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.615 -1.336 0.741 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.632 -0.184 0.585 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.746 0.560 -0.401 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.630 0.000 1.539 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.366 -0.816 2.707 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.303 -1.612 3.402 0.00 0.00 -0.026 A ATOM 7 C LIG 1 0.869 -2.371 4.526 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.443 -2.355 4.980 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.364 -1.573 4.319 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.789 -1.764 3.164 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.962 -0.821 3.210 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.424 -1.060 1.990 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.160 -2.474 -0.828 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.473 -1.347 -0.443 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.293 -0.612 -1.121 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.196 -3.483 -0.125 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.870 -2.395 -2.198 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.633 -1.088 -2.414 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 2.838 -1.871 -3.534 0.00 0.00 +0.101 C ATOM 20 N LIG 1 3.974 -2.753 -3.319 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.526 -2.800 -4.174 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.252 1.156 1.273 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -1.447 0.923 0.347 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -2.379 1.980 0.096 0.00 0.00 -0.012 A ATOM 25 C LIG 1 -3.501 1.748 -0.751 0.00 0.00 -0.004 A ATOM 26 C LIG 1 -4.417 2.812 -0.986 0.00 0.00 +0.067 A ATOM 27 C LIG 1 -4.233 4.074 -0.403 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -3.140 4.302 0.416 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.642 0.469 -1.336 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -2.729 -0.552 -1.099 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -2.233 3.272 0.659 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -1.642 -0.327 -0.267 0.00 0.00 +0.006 A BRANCH 26 33 ATOM 33 C LIG 1 -5.624 2.629 -1.831 0.00 0.00 +0.340 C ATOM 34 O LIG 1 -6.403 1.695 -1.743 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.700 3.658 -2.714 0.00 0.00 -0.464 OA ATOM 36 C LIG 1 -6.816 3.576 -3.601 0.00 0.00 +0.280 C ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7