REMARK Name = BDB036148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.848 1.475 0.103 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.765 1.228 1.028 0.00 0.00 +0.115 C ATOM 3 C LIG 1 0.172 1.193 -0.203 0.00 0.00 +0.004 C ATOM 4 C LIG 1 1.506 1.915 -0.040 0.00 0.00 +0.025 C ATOM 5 C LIG 1 2.475 1.040 0.759 0.00 0.00 +0.085 C ATOM 6 N LIG 1 2.677 -0.264 0.103 0.00 0.00 -0.302 NA ATOM 7 C LIG 1 1.395 -0.983 -0.023 0.00 0.00 +0.085 C ATOM 8 C LIG 1 0.382 -0.183 -0.842 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -0.935 2.049 -0.859 0.00 0.00 +0.115 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.135 2.180 -0.370 0.00 0.00 +0.186 A ATOM 11 C LIG 1 -3.034 2.153 0.482 0.00 0.00 +0.167 A ATOM 12 N LIG 1 -3.054 2.792 1.674 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -4.167 3.473 1.985 0.00 0.00 +0.223 A ATOM 14 N LIG 1 -5.253 3.613 1.213 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -5.203 2.954 0.041 0.00 0.00 +0.162 A BRANCH 10 16 ATOM 16 O LIG 1 -4.233 1.568 -1.592 0.00 0.00 -0.450 OA BRANCH 16 18 ATOM 17 C LIG 1 -4.572 -0.763 -0.828 0.00 0.00 +0.082 A ATOM 18 C LIG 1 -4.007 0.211 -1.664 0.00 0.00 +0.141 A ATOM 19 C LIG 1 -3.194 -0.197 -2.731 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -2.885 -1.546 -2.909 0.00 0.00 +0.042 A ATOM 21 C LIG 1 -3.400 -2.490 -2.028 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -3.094 -3.783 -2.195 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -4.240 -2.115 -0.989 0.00 0.00 +0.055 A BRANCH 17 25 ATOM 24 N LIG 1 -6.852 -0.154 -0.057 0.00 0.00 -0.295 N ATOM 25 C LIG 1 -5.514 -0.446 0.257 0.00 0.00 +0.250 C ATOM 26 O LIG 1 -5.068 -0.483 1.401 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 -7.736 0.150 1.091 0.00 0.00 +0.070 C ATOM 28 C LIG 1 -8.309 -1.133 1.701 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -8.854 1.142 0.770 0.00 0.00 +0.028 C ENDBRANCH 24 27 BRANCH 24 31 ATOM 30 C LIG 1 -7.579 0.671 -2.308 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -7.460 -0.504 -1.351 0.00 0.00 +0.105 C ENDBRANCH 24 31 ENDBRANCH 17 25 ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 11 BRANCH 6 32 ATOM 32 C LIG 1 3.649 -1.105 0.830 0.00 0.00 +0.088 C BRANCH 32 33 ATOM 33 C LIG 1 5.107 -0.605 0.726 0.00 0.00 +0.006 C ATOM 34 C LIG 1 6.097 -1.504 1.516 0.00 0.00 -0.006 C ATOM 35 C LIG 1 7.451 -0.765 1.600 0.00 0.00 +0.015 C ATOM 36 C LIG 1 7.977 -0.427 0.185 0.00 0.00 +0.018 C ATOM 37 C LIG 1 7.016 -1.064 -0.876 0.00 0.00 -0.001 C ATOM 38 C LIG 1 6.877 -2.583 -0.626 0.00 0.00 +0.004 C ATOM 39 C LIG 1 9.430 -0.866 -0.020 0.00 0.00 +0.131 C ATOM 40 C LIG 1 9.925 0.111 -1.046 0.00 0.00 +0.308 C ATOM 41 O LIG 1 10.913 -0.034 -1.746 0.00 0.00 -0.251 OA ATOM 42 O LIG 1 9.123 1.214 -1.058 0.00 0.00 -0.464 OA ATOM 43 C LIG 1 8.156 1.079 -0.017 0.00 0.00 +0.239 C ATOM 44 C LIG 1 6.339 -2.838 0.787 0.00 0.00 +0.004 C ATOM 45 C LIG 1 5.588 -0.488 -0.738 0.00 0.00 +0.009 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8