REMARK Name = BDB006345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.091 -1.123 -0.788 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.884 -0.406 0.401 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.716 -0.638 1.156 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.220 -0.100 2.374 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.985 -0.705 2.639 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.257 -1.581 1.615 0.00 0.00 -0.342 N ATOM 7 C LIG 1 0.222 -1.569 0.696 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.034 -2.280 -0.500 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.133 -2.038 -1.233 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -4.449 -0.536 -0.947 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -4.464 -0.579 0.062 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -3.309 -0.920 -1.619 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -3.274 -1.121 -2.828 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 -6.372 -1.747 -1.900 0.00 0.00 +0.033 C ATOM 15 C LIG 1 -5.721 -0.386 -1.633 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 -6.607 0.560 -0.835 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -7.319 0.138 0.301 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -8.105 1.038 1.028 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -8.173 2.377 0.627 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -7.459 2.821 -0.491 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -6.678 1.913 -1.212 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 -8.995 3.325 1.390 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -9.041 4.498 0.994 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -9.593 2.896 2.387 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 2.448 -2.423 1.558 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.670 -1.643 1.139 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.812 -1.180 -0.175 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.948 -0.461 -0.558 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.973 -0.182 0.359 0.00 0.00 -0.018 A ATOM 30 C LIG 1 5.823 -0.648 1.674 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.688 -1.369 2.061 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 7.167 0.577 -0.046 0.00 0.00 -0.018 A ATOM 33 C LIG 1 7.559 1.735 0.649 0.00 0.00 +0.012 A ATOM 34 C LIG 1 8.692 2.460 0.267 0.00 0.00 +0.046 A ATOM 35 C LIG 1 9.445 2.028 -0.818 0.00 0.00 +0.117 A ATOM 36 C LIG 1 9.083 0.888 -1.524 0.00 0.00 +0.046 A ATOM 37 C LIG 1 7.949 0.167 -1.140 0.00 0.00 +0.012 A BRANCH 35 38 ATOM 38 O LIG 1 10.556 2.702 -1.227 0.00 0.00 -0.507 OA ATOM 39 H LIG 1 10.678 3.476 -0.653 0.00 0.00 +0.292 HD ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8