REMARK Name = BDB000037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.558 0.595 -0.555 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.189 -0.339 -0.356 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.759 -0.284 0.068 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.837 0.799 0.020 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.237 2.061 0.494 0.00 0.00 +0.053 A ATOM 6 C LIG 1 -3.528 2.244 1.011 0.00 0.00 +0.091 A ATOM 7 N LIG 1 -4.104 3.378 1.525 0.00 0.00 -0.233 NA ATOM 8 C LIG 1 -5.324 3.031 1.883 0.00 0.00 +0.107 A ATOM 9 N LIG 1 -5.554 1.701 1.603 0.00 0.00 -0.331 N ATOM 10 C LIG 1 -6.783 0.992 1.865 0.00 0.00 +0.150 C ATOM 11 C LIG 1 -6.328 3.929 2.506 0.00 0.00 +0.086 C ATOM 12 C LIG 1 -4.412 1.175 1.048 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -4.060 -0.099 0.590 0.00 0.00 +0.038 A BRANCH 3 19 ATOM 14 C LIG 1 -0.423 -4.670 0.652 0.00 0.00 +0.065 C ATOM 15 C LIG 1 -1.284 -3.744 -0.153 0.00 0.00 +0.039 A ATOM 16 N LIG 1 -1.702 -4.177 -1.365 0.00 0.00 -0.260 NA ATOM 17 C LIG 1 -2.461 -3.333 -2.096 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -2.831 -2.068 -1.676 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -2.401 -1.626 -0.423 0.00 0.00 -0.013 A ATOM 20 C LIG 1 -1.615 -2.489 0.350 0.00 0.00 +0.031 A ENDBRANCH 3 19 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 0.416 1.468 -1.060 0.00 0.00 +0.044 A ATOM 22 C LIG 1 1.760 1.122 -1.034 0.00 0.00 +0.071 A ATOM 23 C LIG 1 2.410 -0.094 -0.544 0.00 0.00 +0.256 C ATOM 24 N LIG 1 3.751 0.046 -0.778 0.00 0.00 -0.222 N ATOM 25 C LIG 1 4.037 1.273 -1.310 0.00 0.00 +0.255 C ATOM 26 O LIG 1 5.119 1.761 -1.574 0.00 0.00 -0.270 OA ATOM 27 O LIG 1 1.817 -1.032 -0.042 0.00 0.00 -0.269 OA ATOM 28 C LIG 1 2.760 1.956 -1.506 0.00 0.00 +0.051 A ATOM 29 C LIG 1 2.487 3.196 -2.042 0.00 0.00 +0.014 A ATOM 30 C LIG 1 1.146 3.576 -2.102 0.00 0.00 +0.003 A ATOM 31 C LIG 1 0.128 2.721 -1.621 0.00 0.00 +0.024 A BRANCH 24 32 ATOM 32 C LIG 1 4.738 -0.912 -0.306 0.00 0.00 +0.171 C ATOM 33 C LIG 1 5.343 -0.409 1.008 0.00 0.00 +0.240 C ATOM 34 O LIG 1 4.781 0.383 1.762 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 6.557 -0.960 1.355 0.00 0.00 -0.255 N ATOM 36 H LIG 1 6.952 -0.641 2.230 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 7.351 -1.791 0.605 0.00 0.00 +0.219 C ATOM 38 O LIG 1 8.440 -2.173 1.023 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 6.785 -2.257 -0.717 0.00 0.00 +0.098 C ATOM 40 C LIG 1 5.844 -1.221 -1.312 0.00 0.00 +0.041 C ENDBRANCH 24 32 ENDBRANCH 1 21 TORSDOF 4