REMARK Name = BDB034434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.806 -0.319 -0.317 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -4.220 -1.568 -0.055 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -2.997 -1.709 0.592 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.305 -0.555 1.026 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -1.064 -0.732 1.709 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.568 -2.031 1.825 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -1.325 -3.088 1.357 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -2.882 0.707 0.749 0.00 0.00 +0.012 A ATOM 9 N LIG 1 -2.525 -2.951 0.765 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -4.110 0.821 0.093 0.00 0.00 +0.009 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 -8.592 -0.010 -2.340 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -7.550 -0.754 -2.893 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -6.319 -0.857 -2.237 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -6.100 -0.215 -1.010 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -7.157 0.531 -0.464 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -8.392 0.633 -1.120 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 -10.834 0.749 -2.555 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -9.741 0.009 -3.082 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 5 19 ATOM 19 N LIG 1 -0.336 0.391 2.145 0.00 0.00 -0.343 N ATOM 20 H LIG 1 -0.961 1.111 2.499 0.00 0.00 +0.146 HD BRANCH 19 21 ATOM 21 C LIG 1 0.875 0.276 2.952 0.00 0.00 +0.103 C BRANCH 21 22 ATOM 22 C LIG 1 2.112 0.150 2.060 0.00 0.00 +0.034 C BRANCH 22 23 ATOM 23 C LIG 1 3.380 0.047 2.912 0.00 0.00 +0.083 C BRANCH 23 24 ATOM 24 N LIG 1 4.598 -0.152 2.128 0.00 0.00 -0.312 NA ATOM 25 H LIG 1 4.430 -0.837 1.390 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 5.066 1.082 1.489 0.00 0.00 +0.120 C BRANCH 26 27 ATOM 27 C LIG 1 6.330 0.829 0.703 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.346 0.801 -0.694 0.00 0.00 +0.163 A ATOM 29 C LIG 1 7.525 0.557 -1.418 0.00 0.00 +0.162 A ATOM 30 C LIG 1 8.713 0.332 -0.724 0.00 0.00 +0.049 A ATOM 31 C LIG 1 8.716 0.347 0.673 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.536 0.590 1.380 0.00 0.00 +0.009 A BRANCH 28 33 ATOM 33 O LIG 1 5.181 1.014 -1.388 0.00 0.00 -0.503 OA ATOM 34 H LIG 1 5.433 0.944 -2.329 0.00 0.00 +0.292 HD ENDBRANCH 28 33 BRANCH 29 35 ATOM 35 O LIG 1 7.375 0.565 -2.782 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 8.545 0.309 -3.552 0.00 0.00 +0.277 C ENDBRANCH 29 35 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 5 19 TORSDOF 11