REMARK Name = BDB024158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.261 0.260 -2.131 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.887 -0.752 -3.207 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.529 -2.070 -2.879 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.180 -2.981 -3.877 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.196 -2.591 -5.215 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.569 -1.294 -5.557 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.917 -0.380 -4.561 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.227 0.254 -0.961 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.024 0.695 -1.370 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.173 0.811 -2.362 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.539 -0.111 0.171 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.136 0.867 -0.538 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.026 0.743 0.793 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.140 0.926 1.544 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.394 1.242 1.032 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.480 1.379 -0.353 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.345 1.191 -1.146 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.555 1.431 1.881 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.722 0.893 3.141 0.00 0.00 +0.116 A ATOM 20 N LIG 1 6.950 1.302 3.577 0.00 0.00 -0.274 N ATOM 21 C LIG 1 7.572 0.991 4.841 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.603 2.071 2.689 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.755 2.147 1.659 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.634 -0.009 -1.651 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.567 -0.789 -0.990 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.210 1.143 -0.946 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.188 2.060 0.330 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.589 0.808 -0.322 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.568 -0.333 0.688 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -3.606 -0.406 1.707 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.610 -1.467 2.618 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.582 -2.465 2.530 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.551 -2.398 1.526 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.544 -1.339 0.613 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -4.586 -3.553 3.464 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.596 -4.434 4.220 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9