REMARK Name = BDB010708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.077 -1.877 0.672 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.158 -0.868 0.967 0.00 0.00 -0.318 N ATOM 3 C LIG 1 1.096 -1.292 0.554 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.860 -2.553 0.030 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.802 -3.359 -0.480 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 3.016 -2.821 -0.413 0.00 0.00 +0.203 A ATOM 7 N LIG 1 3.358 -1.606 0.070 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 2.400 -0.787 0.555 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.453 -2.888 0.089 0.00 0.00 -0.206 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 4.145 -3.620 -0.939 0.00 0.00 +0.220 A ATOM 11 N LIG 1 5.386 -3.109 -0.874 0.00 0.00 -0.269 N ATOM 12 H LIG 1 5.653 -2.218 -0.491 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 6.210 -4.017 -1.411 0.00 0.00 +0.440 A ATOM 14 O LIG 1 7.420 -3.904 -1.528 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.465 -5.098 -1.811 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.103 -4.794 -1.480 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 19 ATOM 17 C LIG 1 -4.696 -2.950 0.731 0.00 0.00 -0.041 A ATOM 18 C LIG 1 -3.317 -2.944 0.480 0.00 0.00 +0.035 A ATOM 19 C LIG 1 -2.531 -1.885 0.935 0.00 0.00 +0.106 A ATOM 20 N LIG 1 -3.053 -0.846 1.624 0.00 0.00 -0.252 NA ATOM 21 C LIG 1 -4.383 -0.864 1.860 0.00 0.00 +0.112 A ATOM 22 C LIG 1 -5.232 -1.875 1.441 0.00 0.00 +0.023 A BRANCH 17 24 ATOM 23 C LIG 1 -5.600 -4.186 -1.269 0.00 0.00 +0.012 C ATOM 24 C LIG 1 -5.592 -4.078 0.258 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -5.202 -5.413 0.897 0.00 0.00 +0.012 C ENDBRANCH 17 24 ENDBRANCH 1 19 BRANCH 8 26 ATOM 26 N LIG 1 2.756 0.466 1.020 0.00 0.00 -0.324 N ATOM 27 H LIG 1 2.015 1.148 1.021 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 4.064 1.028 0.680 0.00 0.00 +0.072 C ATOM 29 C LIG 1 4.520 1.862 1.883 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 3.967 1.938 -0.557 0.00 0.00 +0.009 C ATOM 31 C LIG 1 3.647 1.289 -1.937 0.00 0.00 +0.005 C ATOM 32 C LIG 1 5.162 1.210 -2.189 0.00 0.00 +0.001 C ATOM 33 C LIG 1 5.322 2.372 -1.191 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 -0.460 0.380 1.651 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 -1.102 1.456 0.750 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.700 2.580 1.619 0.00 0.00 +0.006 C ATOM 37 C LIG 1 -1.685 3.960 0.954 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.903 3.923 -0.572 0.00 0.00 -0.035 C ATOM 39 C LIG 1 -3.335 3.447 -0.894 0.00 0.00 +0.011 C ATOM 40 C LIG 1 -1.754 5.351 -1.131 0.00 0.00 +0.011 C ATOM 41 C LIG 1 -0.861 2.997 -1.252 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -0.145 2.037 -0.293 0.00 0.00 +0.006 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8