REMARK Name = BDB024277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.764 2.715 0.081 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -1.091 1.539 0.421 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -1.572 0.880 1.013 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -1.302 3.650 -0.565 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.212 1.202 0.038 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.948 2.033 -0.714 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 2.202 1.647 -1.053 0.00 0.00 +0.121 A ATOM 8 C LIG 1 2.785 0.443 -0.674 0.00 0.00 +0.003 A ATOM 9 C LIG 1 2.000 -0.410 0.102 0.00 0.00 +0.013 A ATOM 10 C LIG 1 0.704 -0.029 0.463 0.00 0.00 +0.044 A BRANCH 8 11 ATOM 11 C LIG 1 4.135 0.100 -1.078 0.00 0.00 +0.021 A ATOM 12 C LIG 1 4.974 -0.762 -0.403 0.00 0.00 +0.117 A ATOM 13 N LIG 1 6.138 -0.820 -1.121 0.00 0.00 -0.262 N ATOM 14 N LIG 1 6.140 0.012 -2.185 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 4.915 0.544 -2.171 0.00 0.00 +0.143 A BRANCH 13 16 ATOM 16 C LIG 1 7.368 -1.506 -0.753 0.00 0.00 +0.239 C BRANCH 16 17 ATOM 17 C LIG 1 7.221 -3.010 -0.609 0.00 0.00 +0.237 C ATOM 18 N LIG 1 8.395 -3.731 -0.355 0.00 0.00 -0.306 N ATOM 19 C LIG 1 8.323 -5.184 -0.312 0.00 0.00 +0.131 C ATOM 20 C LIG 1 9.736 -3.165 -0.400 0.00 0.00 +0.131 C ATOM 21 O LIG 1 6.127 -3.573 -0.676 0.00 0.00 -0.274 OA ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 22 ATOM 22 C LIG 1 -3.216 2.703 0.657 0.00 0.00 +0.171 C BRANCH 22 23 ATOM 23 C LIG 1 -3.961 4.015 0.466 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -4.242 4.838 1.569 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -4.937 6.038 1.403 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.357 6.433 0.133 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -5.080 5.630 -0.971 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.386 4.430 -0.807 0.00 0.00 +0.005 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 N LIG 1 -3.951 1.555 0.064 0.00 0.00 -0.301 NA ATOM 30 H LIG 1 -3.322 0.769 -0.076 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.111 1.153 0.867 0.00 0.00 +0.089 C BRANCH 31 33 ATOM 32 C LIG 1 -6.994 -0.521 1.112 0.00 0.00 +0.014 C ATOM 33 C LIG 1 -5.672 -0.213 0.399 0.00 0.00 +0.030 C BRANCH 33 34 ATOM 34 C LIG 1 -4.660 -1.339 0.595 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -4.262 -1.762 1.873 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -3.317 -2.783 2.024 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -2.753 -3.391 0.899 0.00 0.00 +0.052 A ATOM 38 C LIG 1 -3.137 -2.973 -0.378 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -4.084 -1.956 -0.528 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -1.787 -4.438 1.058 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -1.001 -5.280 1.198 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 11