REMARK Name = BDB006330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.229 0.089 -1.529 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.381 -0.419 -2.523 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.167 -1.044 -2.163 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.888 -1.650 -2.913 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.837 -2.099 -2.006 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.391 -1.779 -0.738 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -3.137 -2.786 -2.260 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.965 -1.773 -4.396 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.168 -1.133 -0.810 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.662 -0.606 0.195 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.861 0.008 -0.185 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.545 0.674 -1.058 0.00 0.00 -0.305 N ATOM 13 H LIG 1 4.475 0.045 -0.270 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 3.502 0.735 -1.957 0.00 0.00 +0.245 C ATOM 15 O LIG 1 3.593 1.251 -3.064 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.864 1.194 -1.382 0.00 0.00 +0.101 C ATOM 17 C LIG 1 5.894 2.724 -1.334 0.00 0.00 +0.033 C BRANCH 16 20 ATOM 18 C LIG 1 7.850 0.278 1.777 0.00 0.00 +0.120 A ATOM 19 C LIG 1 6.912 0.865 0.922 0.00 0.00 +0.051 A ATOM 20 C LIG 1 6.895 0.577 -0.454 0.00 0.00 -0.024 A ATOM 21 C LIG 1 7.838 -0.330 -0.956 0.00 0.00 +0.006 A ATOM 22 C LIG 1 8.777 -0.917 -0.108 0.00 0.00 +0.004 A ATOM 23 C LIG 1 8.785 -0.614 1.255 0.00 0.00 +0.045 A BRANCH 18 25 ATOM 24 C LIG 1 8.699 0.120 3.992 0.00 0.00 +0.277 C ATOM 25 O LIG 1 7.740 0.655 3.088 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -2.080 -2.118 0.510 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.281 -1.248 0.799 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.270 0.137 0.583 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.394 0.915 0.880 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.552 0.335 1.414 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -5.552 -1.046 1.656 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.431 -1.827 1.355 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.725 1.159 1.741 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.941 1.109 1.028 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -9.031 1.905 1.430 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -8.924 2.751 2.533 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.730 2.813 3.242 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.644 2.027 2.850 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -8.097 0.261 -0.183 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -7.251 -0.033 -1.004 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -9.358 -0.202 -0.302 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -9.323 -0.743 -1.118 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 9