REMARK Name = BDB024459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.570 -2.087 0.135 0.00 0.00 +0.263 C ATOM 2 N LIG 1 0.050 -1.574 -0.980 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.491 -0.902 -1.511 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.185 -3.084 0.737 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.443 0.119 -0.058 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -2.382 -0.613 -0.412 0.00 0.00 -0.210 NA ATOM 7 C LIG 1 -1.778 -1.322 0.559 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -2.153 -1.312 1.874 0.00 0.00 +0.076 A ATOM 9 C LIG 1 -3.187 -0.459 2.176 0.00 0.00 +0.125 A ATOM 10 N LIG 1 -3.837 0.227 1.217 0.00 0.00 -0.200 NA BRANCH 5 15 ATOM 11 C LIG 1 -6.786 2.292 -4.043 0.00 0.00 +0.105 C ATOM 12 N LIG 1 -6.233 1.485 -2.955 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -5.949 2.324 -1.766 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -5.328 1.513 -0.607 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -4.106 0.832 -1.058 0.00 0.00 -0.297 N ATOM 16 C LIG 1 -4.294 0.022 -2.277 0.00 0.00 +0.123 C ATOM 17 C LIG 1 -4.976 0.842 -3.392 0.00 0.00 +0.103 C ENDBRANCH 5 15 BRANCH 9 18 ATOM 18 N LIG 1 -3.529 -0.310 3.545 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -2.673 -0.093 4.046 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -4.626 0.413 4.119 0.00 0.00 +0.072 C ATOM 21 C LIG 1 -6.020 -0.013 3.620 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -6.412 1.484 3.679 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -4.909 1.839 3.593 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 9 18 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.220 -2.175 -1.595 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 2.541 -1.674 -0.972 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 3.493 -1.503 -2.030 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 4.320 -1.205 -1.601 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.082 -2.660 0.088 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 4.303 -2.283 0.804 0.00 0.00 -0.294 NA ATOM 30 C LIG 1 5.584 -2.637 0.188 0.00 0.00 +0.138 C ATOM 31 C LIG 1 6.403 -1.426 -0.110 0.00 0.00 +0.034 A ATOM 32 N LIG 1 7.622 -1.438 -0.733 0.00 0.00 -0.357 N ATOM 33 H LIG 1 8.103 -2.259 -1.076 0.00 0.00 +0.166 HD ATOM 34 C LIG 1 8.126 -0.151 -0.797 0.00 0.00 +0.047 A ATOM 35 C LIG 1 7.186 0.699 -0.205 0.00 0.00 +0.003 A ATOM 36 C LIG 1 7.465 2.080 -0.141 0.00 0.00 +0.010 A ATOM 37 C LIG 1 8.672 2.565 -0.663 0.00 0.00 +0.001 A ATOM 38 C LIG 1 9.593 1.695 -1.244 0.00 0.00 +0.002 A ATOM 39 C LIG 1 9.337 0.320 -1.327 0.00 0.00 +0.026 A ATOM 40 C LIG 1 6.106 -0.119 0.224 0.00 0.00 -0.017 A ATOM 41 C LIG 1 4.841 0.220 0.930 0.00 0.00 +0.053 C ATOM 42 C LIG 1 4.262 -1.051 1.607 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9