REMARK Name = BDB048204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.568 1.163 -1.327 0.00 0.00 +0.252 C ATOM 2 N LIG 1 1.878 0.833 -0.938 0.00 0.00 -0.293 N ATOM 3 O LIG 1 0.227 2.266 -1.752 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.106 -0.132 0.170 0.00 0.00 +0.091 C ATOM 5 C LIG 1 3.336 -1.030 -0.065 0.00 0.00 +0.037 C ATOM 6 C LIG 1 3.888 -1.536 1.270 0.00 0.00 +0.090 C ATOM 7 C LIG 1 4.316 -0.349 2.153 0.00 0.00 +0.093 C ATOM 8 N LIG 1 3.483 0.853 2.022 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 3.461 1.367 2.902 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.125 0.554 1.567 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 5.053 -2.490 1.068 0.00 0.00 +0.215 C ATOM 12 O LIG 1 5.570 -2.736 -0.015 0.00 0.00 -0.276 OA ATOM 13 N LIG 1 5.512 -3.097 2.203 0.00 0.00 -0.329 N ATOM 14 H LIG 1 4.946 -3.165 3.038 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 6.222 -3.806 2.066 0.00 0.00 +0.145 HD ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 17 ATOM 16 C LIG 1 -1.635 0.280 -0.548 0.00 0.00 +0.134 A ATOM 17 C LIG 1 -0.465 0.126 -1.273 0.00 0.00 +0.095 A ATOM 18 C LIG 1 -0.322 -1.034 -2.000 0.00 0.00 +0.129 A ATOM 19 N LIG 1 -1.238 -2.021 -2.002 0.00 0.00 -0.239 NA ATOM 20 C LIG 1 -2.347 -1.812 -1.265 0.00 0.00 +0.136 A ATOM 21 N LIG 1 -2.560 -0.702 -0.526 0.00 0.00 -0.216 NA BRANCH 20 22 ATOM 22 C LIG 1 -3.384 -2.932 -1.199 0.00 0.00 +0.022 C ATOM 23 C LIG 1 -4.761 -2.398 -0.758 0.00 0.00 +0.019 C ATOM 24 C LIG 1 -3.550 -3.595 -2.579 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -2.903 -3.979 -0.182 0.00 0.00 +0.019 C ENDBRANCH 20 22 BRANCH 16 26 ATOM 26 N LIG 1 -1.820 1.422 0.260 0.00 0.00 -0.328 N ATOM 27 H LIG 1 -1.551 2.244 -0.289 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.155 1.556 0.843 0.00 0.00 +0.105 C BRANCH 28 29 ATOM 29 C LIG 1 -3.219 2.853 1.652 0.00 0.00 +0.047 C BRANCH 29 30 ATOM 30 C LIG 1 -4.617 3.114 2.199 0.00 0.00 +0.161 C BRANCH 30 32 ATOM 31 C LIG 1 -6.277 2.269 3.642 0.00 0.00 +0.193 C ATOM 32 O LIG 1 -4.978 2.070 3.100 0.00 0.00 -0.383 OA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 16 26 ENDBRANCH 1 17 BRANCH 2 33 ATOM 33 C LIG 1 2.887 1.886 -1.137 0.00 0.00 +0.111 C BRANCH 33 34 ATOM 34 C LIG 1 3.236 2.120 -2.622 0.00 0.00 +0.000 C ATOM 35 C LIG 1 4.174 3.322 -2.752 0.00 0.00 +0.009 C ATOM 36 C LIG 1 3.881 0.885 -3.253 0.00 0.00 +0.009 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 11