REMARK Name = BDB010407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.107 -1.624 0.748 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.129 -1.002 0.876 0.00 0.00 +0.129 A ATOM 3 C LIG 1 1.287 -1.761 0.891 0.00 0.00 +0.185 A ATOM 4 N LIG 1 2.396 -0.986 1.045 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.961 0.248 1.105 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.315 -3.097 0.775 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 0.093 -3.622 0.625 0.00 0.00 +0.221 A ATOM 8 N LIG 1 0.586 0.295 0.957 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -1.088 -2.964 0.611 0.00 0.00 -0.206 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.694 1.385 1.263 0.00 0.00 -0.293 N ATOM 11 C LIG 1 4.045 1.478 0.616 0.00 0.00 +0.105 C ATOM 12 C LIG 1 5.210 0.940 1.494 0.00 0.00 +0.139 C ATOM 13 C LIG 1 5.484 -0.557 1.341 0.00 0.00 +0.033 C ATOM 14 C LIG 1 5.483 -1.029 -0.115 0.00 0.00 +0.003 C ATOM 15 C LIG 1 5.321 0.101 -1.128 0.00 0.00 +0.002 C ATOM 16 O LIG 1 5.137 1.335 2.875 0.00 0.00 -0.373 OA ATOM 17 C LIG 1 3.847 1.104 3.447 0.00 0.00 +0.179 C ATOM 18 C LIG 1 4.087 0.953 -0.835 0.00 0.00 +0.025 C ATOM 19 C LIG 1 2.765 1.861 2.669 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 7 20 ATOM 20 C LIG 1 0.014 -5.089 0.471 0.00 0.00 +0.287 A ATOM 21 O LIG 1 1.200 -5.752 0.477 0.00 0.00 -0.385 OA ATOM 22 C LIG 1 0.849 -7.055 0.321 0.00 0.00 +0.436 A ATOM 23 O LIG 1 1.612 -8.002 0.271 0.00 0.00 -0.221 OA ATOM 24 N LIG 1 -0.515 -7.080 0.235 0.00 0.00 -0.208 N ATOM 25 H LIG 1 -1.080 -7.909 0.112 0.00 0.00 +0.195 HD ATOM 26 N LIG 1 -1.046 -5.833 0.330 0.00 0.00 -0.127 NA ENDBRANCH 7 20 BRANCH 1 27 ATOM 27 N LIG 1 -2.309 -0.921 0.759 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.322 -0.266 1.532 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 -3.798 -2.048 -0.830 0.00 0.00 +0.028 C ATOM 30 C LIG 1 -3.558 -1.690 0.639 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 -4.709 -0.850 1.235 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -5.170 0.451 0.525 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -6.414 -0.303 0.024 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -6.168 -1.360 1.115 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 -0.215 1.501 0.848 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.748 1.790 -0.569 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.382 2.145 -1.547 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.155 2.510 -2.930 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.187 3.641 -2.861 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -1.745 3.949 -4.250 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -2.319 3.283 -1.891 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.780 2.928 -0.507 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 7