REMARK Name = BDB001145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.355 -0.592 0.290 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.948 -1.817 0.780 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.365 -2.351 0.447 0.00 0.00 +0.099 C ATOM 4 C LIG 1 -0.206 -3.867 0.568 0.00 0.00 +0.013 C ATOM 5 C LIG 1 -1.588 -4.368 0.938 0.00 0.00 +0.007 C ATOM 6 C LIG 1 -2.188 -3.285 1.828 0.00 0.00 +0.024 C ATOM 7 C LIG 1 0.875 -4.014 1.640 0.00 0.00 +0.024 C ATOM 8 C LIG 1 -1.462 -1.977 1.479 0.00 0.00 +0.094 C ATOM 9 C LIG 1 1.813 -2.854 1.326 0.00 0.00 +0.108 C ATOM 10 O LIG 1 0.638 0.078 -0.463 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -2.379 -0.976 0.960 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -2.905 -1.195 0.123 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -2.227 0.359 1.276 0.00 0.00 +0.245 C ATOM 14 O LIG 1 -1.483 0.796 2.144 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 -3.021 1.285 0.437 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -4.438 1.280 0.428 0.00 0.00 -0.006 A ATOM 17 C LIG 1 -5.108 2.163 -0.460 0.00 0.00 -0.014 A ATOM 18 C LIG 1 -6.522 2.147 -0.476 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -7.262 1.306 0.356 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -6.608 0.460 1.236 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.346 3.032 -1.293 0.00 0.00 -0.043 A ATOM 22 C LIG 1 -5.004 3.994 -2.251 0.00 0.00 +0.044 C ATOM 23 C LIG 1 -2.944 3.020 -1.232 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -5.215 0.450 1.274 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -2.284 2.152 -0.372 0.00 0.00 +0.014 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 26 ATOM 26 C LIG 1 2.759 -0.071 0.700 0.00 0.00 +0.164 C BRANCH 26 28 ATOM 27 C LIG 1 4.025 -0.328 -1.403 0.00 0.00 +0.230 C ATOM 28 N LIG 1 3.330 0.487 -0.530 0.00 0.00 -0.302 N ATOM 29 H LIG 1 2.779 1.223 -0.957 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 4.349 -1.483 -1.128 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 4.311 0.319 -2.779 0.00 0.00 +0.137 C ATOM 32 C LIG 1 3.156 -0.045 -3.712 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 5.993 0.324 -4.567 0.00 0.00 +0.101 C ATOM 34 N LIG 1 5.637 -0.133 -3.237 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.669 -1.154 -3.184 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 2.721 0.976 1.858 0.00 0.00 -0.011 C ATOM 37 C LIG 1 2.129 0.349 3.135 0.00 0.00 +0.013 C ATOM 38 C LIG 1 4.164 1.423 2.183 0.00 0.00 +0.013 C ATOM 39 C LIG 1 1.900 2.231 1.506 0.00 0.00 +0.013 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7