REMARK Name = BDB024173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.175 -1.217 0.622 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.279 -2.670 1.068 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.569 -2.947 2.415 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.644 -4.263 2.877 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.428 -5.322 1.999 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.132 -5.067 0.662 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.052 -3.752 0.200 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.227 -0.947 0.297 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.002 -1.565 -0.469 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.833 -0.601 1.115 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.802 0.093 2.127 0.00 0.00 -0.273 OA BRANCH 8 17 ATOM 12 C LIG 1 -3.433 1.847 2.501 0.00 0.00 +0.066 C ATOM 13 C LIG 1 -3.177 0.797 1.457 0.00 0.00 +0.048 A ATOM 14 C LIG 1 -4.188 0.279 0.642 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.817 -0.662 -0.323 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -2.486 -1.060 -0.435 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -1.547 -0.520 0.434 0.00 0.00 +0.125 A ATOM 18 N LIG 1 -1.881 0.395 1.359 0.00 0.00 -0.236 NA BRANCH 14 19 ATOM 19 C LIG 1 -5.580 0.664 0.761 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -6.364 1.104 -0.285 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -7.593 1.370 0.248 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -8.752 1.875 -0.450 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -7.673 1.113 1.566 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -6.445 0.689 1.878 0.00 0.00 +0.143 A ENDBRANCH 14 19 ENDBRANCH 8 17 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.268 -1.023 -0.854 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 1.927 -0.077 -1.055 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.657 -1.097 -1.352 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 4.567 0.111 -1.002 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.964 -0.090 -1.606 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 3.957 1.440 -1.426 0.00 0.00 -0.043 A ATOM 31 C LIG 1 3.841 1.807 -2.777 0.00 0.00 +0.005 A ATOM 32 C LIG 1 3.255 3.025 -3.137 0.00 0.00 +0.019 A ATOM 33 C LIG 1 2.764 3.889 -2.152 0.00 0.00 +0.052 A ATOM 34 C LIG 1 2.864 3.528 -0.804 0.00 0.00 +0.019 A ATOM 35 C LIG 1 3.456 2.315 -0.445 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 2.162 5.136 -2.523 0.00 0.00 +0.099 C ATOM 37 N LIG 1 1.677 6.145 -2.830 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9