REMARK Name = BDB061929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.875 1.583 -1.671 0.00 0.00 +0.163 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.642 3.242 -1.132 0.00 0.00 +0.227 C ATOM 3 N LIG 1 -1.590 2.448 -0.735 0.00 0.00 -0.303 N ATOM 4 H LIG 1 -1.145 2.589 0.168 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -3.095 3.203 -2.273 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.178 4.167 -0.029 0.00 0.00 +0.177 C BRANCH 6 7 ATOM 7 N LIG 1 -4.636 4.066 0.130 0.00 0.00 -0.308 NA ATOM 8 H LIG 1 -4.954 4.792 0.769 0.00 0.00 +0.122 HD BRANCH 7 9 ATOM 9 C LIG 1 -5.056 2.757 0.624 0.00 0.00 +0.081 C BRANCH 9 10 ATOM 10 C LIG 1 -6.572 2.708 0.843 0.00 0.00 +0.015 C BRANCH 10 12 ATOM 11 C LIG 1 -7.197 1.931 -1.506 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -7.419 2.959 -0.408 0.00 0.00 -0.002 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 6 7 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 0.563 1.414 -1.141 0.00 0.00 +0.234 C ATOM 14 N LIG 1 1.415 0.706 -1.950 0.00 0.00 -0.302 N ATOM 15 H LIG 1 1.117 0.369 -2.863 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 0.929 1.906 -0.071 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 2.811 0.457 -1.587 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 C LIG 1 3.528 0.055 -2.891 0.00 0.00 +0.233 C ATOM 19 N LIG 1 4.893 0.236 -2.893 0.00 0.00 -0.317 N ATOM 20 H LIG 1 5.360 0.436 -2.014 0.00 0.00 +0.148 HD ATOM 21 C LIG 1 5.704 -0.192 -4.004 0.00 0.00 +0.128 C ATOM 22 O LIG 1 2.908 -0.403 -3.853 0.00 0.00 -0.274 OA ENDBRANCH 17 18 BRANCH 17 23 ATOM 23 C LIG 1 2.919 -0.658 -0.532 0.00 0.00 +0.067 C BRANCH 23 24 ATOM 24 C LIG 1 4.291 -0.785 0.086 0.00 0.00 -0.042 A ATOM 25 C LIG 1 4.771 0.206 0.955 0.00 0.00 +0.049 A ATOM 26 C LIG 1 6.048 0.116 1.518 0.00 0.00 +0.120 A ATOM 27 C LIG 1 6.854 -0.978 1.209 0.00 0.00 +0.045 A ATOM 28 C LIG 1 6.385 -1.974 0.348 0.00 0.00 +0.004 A ATOM 29 C LIG 1 5.110 -1.880 -0.210 0.00 0.00 +0.004 A BRANCH 26 30 ATOM 30 O LIG 1 6.384 1.157 2.338 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 7.639 1.073 3.003 0.00 0.00 +0.277 C ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 32 ATOM 32 C LIG 1 -1.594 0.245 -1.924 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 C LIG 1 -1.567 -0.726 -0.765 0.00 0.00 -0.045 A ATOM 34 C LIG 1 -2.411 -0.557 0.335 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.366 -1.441 1.419 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -1.477 -2.527 1.440 0.00 0.00 -0.042 A ATOM 37 C LIG 1 -0.640 -2.692 0.320 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -0.687 -1.812 -0.766 0.00 0.00 +0.004 A BRANCH 36 39 ATOM 39 C LIG 1 -1.393 -3.512 2.619 0.00 0.00 -0.013 C ATOM 40 C LIG 1 0.025 -3.470 3.227 0.00 0.00 +0.015 C ATOM 41 C LIG 1 -2.391 -3.208 3.759 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -1.690 -4.944 2.123 0.00 0.00 +0.015 C ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 15