REMARK Name = BDB001390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.150 -0.395 -0.419 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.355 -1.503 -0.948 0.00 0.00 +0.192 C ATOM 3 C LIG 1 -0.270 -2.072 0.312 0.00 0.00 +0.019 A ATOM 4 C LIG 1 0.121 -1.312 1.412 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -0.288 -1.590 2.703 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -1.116 -2.698 2.890 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.496 -3.498 1.797 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -1.067 -3.195 0.500 0.00 0.00 +0.009 A ATOM 9 C LIG 1 1.009 -0.244 0.947 0.00 0.00 +0.250 C ATOM 10 O LIG 1 1.478 0.603 1.679 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 1.264 -2.539 -1.639 0.00 0.00 +0.007 A ATOM 12 C LIG 1 1.179 -2.782 -3.023 0.00 0.00 +0.008 A ATOM 13 C LIG 1 2.014 -3.716 -3.646 0.00 0.00 +0.000 A ATOM 14 C LIG 1 2.947 -4.427 -2.898 0.00 0.00 +0.000 A ATOM 15 C LIG 1 3.053 -4.204 -1.529 0.00 0.00 +0.000 A ATOM 16 C LIG 1 2.223 -3.269 -0.906 0.00 0.00 +0.008 A ENDBRANCH 2 11 BRANCH 1 17 ATOM 17 C LIG 1 1.947 0.493 -1.283 0.00 0.00 +0.192 C BRANCH 17 18 ATOM 18 C LIG 1 1.453 1.949 -1.212 0.00 0.00 +0.328 C ATOM 19 O LIG 1 0.375 2.306 -0.749 0.00 0.00 -0.249 OA BRANCH 18 21 ATOM 20 C LIG 1 1.881 4.151 -1.894 0.00 0.00 +0.280 C ATOM 21 O LIG 1 2.311 2.788 -1.865 0.00 0.00 -0.467 OA ENDBRANCH 18 21 ENDBRANCH 17 18 BRANCH 17 22 ATOM 22 C LIG 1 3.477 0.303 -1.186 0.00 0.00 +0.069 C BRANCH 22 23 ATOM 23 C LIG 1 4.164 0.593 0.126 0.00 0.00 -0.045 A ATOM 24 C LIG 1 4.480 -0.453 1.008 0.00 0.00 +0.007 A ATOM 25 C LIG 1 5.121 -0.195 2.222 0.00 0.00 +0.045 A ATOM 26 C LIG 1 5.459 1.113 2.552 0.00 0.00 +0.117 A ATOM 27 C LIG 1 5.171 2.161 1.687 0.00 0.00 +0.045 A ATOM 28 C LIG 1 4.524 1.902 0.477 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 6.080 1.411 3.728 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 6.082 0.614 4.283 0.00 0.00 +0.292 HD ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 O LIG 1 -0.532 -0.939 -1.921 0.00 0.00 -0.346 OA BRANCH 31 32 ATOM 32 C LIG 1 -1.909 -0.734 -1.613 0.00 0.00 +0.182 C BRANCH 32 33 ATOM 33 C LIG 1 -2.190 0.545 -0.810 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 N LIG 1 -3.591 0.540 -0.311 0.00 0.00 -0.327 N BRANCH 34 35 ATOM 35 C LIG 1 -4.126 1.846 -0.388 0.00 0.00 +0.030 A ATOM 36 C LIG 1 -4.919 2.168 -1.499 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -5.471 3.443 -1.645 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -5.227 4.420 -0.682 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.430 4.120 0.422 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -3.879 2.844 0.566 0.00 0.00 +0.023 A ENDBRANCH 34 35 BRANCH 34 41 ATOM 41 C LIG 1 -3.741 -0.111 1.011 0.00 0.00 +0.120 C BRANCH 41 42 ATOM 42 C LIG 1 -5.206 -0.389 1.354 0.00 0.00 +0.137 C BRANCH 42 43 ATOM 43 C LIG 1 -5.284 -1.153 2.604 0.00 0.00 +0.064 C ATOM 44 N LIG 1 -5.324 -1.759 3.593 0.00 0.00 -0.197 NA ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 34 41 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 15