REMARK Name = BDB024230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.950 -1.917 1.084 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.500 -2.117 -0.323 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.132 -3.330 -0.644 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.655 -3.548 -1.920 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.560 -2.554 -2.892 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.950 -1.340 -2.586 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.429 -1.119 -1.310 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.327 -1.394 0.323 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.161 -2.149 -0.333 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.320 -1.018 1.188 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.406 -0.115 2.020 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.141 0.091 -0.341 0.00 0.00 +0.084 A ATOM 13 C LIG 1 4.570 -0.967 -1.036 0.00 0.00 +0.140 A ATOM 14 N LIG 1 3.318 -1.438 -0.801 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.593 -0.837 0.165 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.084 0.227 0.908 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.375 0.699 0.653 0.00 0.00 +0.032 A BRANCH 12 21 ATOM 18 C LIG 1 9.536 2.499 -0.447 0.00 0.00 +0.047 C ATOM 19 C LIG 1 8.405 1.581 -0.708 0.00 0.00 -0.013 A ATOM 20 C LIG 1 7.179 1.536 -0.079 0.00 0.00 +0.118 A ATOM 21 N LIG 1 6.454 0.514 -0.655 0.00 0.00 -0.238 N ATOM 22 N LIG 1 7.169 -0.102 -1.630 0.00 0.00 -0.175 NA ATOM 23 C LIG 1 8.335 0.542 -1.654 0.00 0.00 +0.138 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.978 -1.520 2.087 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.454 -1.337 2.948 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.697 -0.277 1.759 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.114 -0.528 1.189 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -5.030 -1.225 2.204 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.729 0.774 0.688 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.948 0.950 -0.687 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.500 2.137 -1.175 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.838 3.167 -0.294 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.622 3.003 1.077 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.070 1.815 1.564 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.403 4.386 -0.794 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.859 5.373 -1.199 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9