REMARK Name = BDB011436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.775 -0.982 0.409 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.970 -0.051 -0.467 0.00 0.00 +0.159 C ATOM 3 C LIG 1 0.393 -0.417 -0.033 0.00 0.00 +0.057 A ATOM 4 C LIG 1 0.408 -1.363 0.948 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.738 -1.667 1.248 0.00 0.00 +0.041 A ATOM 6 C LIG 1 2.523 -0.920 0.368 0.00 0.00 +0.051 A ATOM 7 N LIG 1 1.667 -0.116 -0.379 0.00 0.00 -0.338 N ATOM 8 C LIG 1 -0.938 -1.736 1.284 0.00 0.00 +0.254 C ATOM 9 O LIG 1 -1.217 -2.567 2.130 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 -6.055 -2.750 2.260 0.00 0.00 +0.049 C ATOM 11 C LIG 1 -5.256 -2.005 1.240 0.00 0.00 +0.016 A ATOM 12 C LIG 1 -6.014 -1.404 0.101 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -7.231 -1.550 0.022 0.00 0.00 -0.267 OA ATOM 14 N LIG 1 -5.250 -0.690 -0.817 0.00 0.00 -0.316 N ATOM 15 C LIG 1 -5.912 -0.064 -1.952 0.00 0.00 +0.152 C ATOM 16 C LIG 1 -3.874 -0.564 -0.704 0.00 0.00 +0.112 A ATOM 17 C LIG 1 -3.165 -1.109 0.305 0.00 0.00 +0.054 A ATOM 18 C LIG 1 -3.923 -1.846 1.305 0.00 0.00 +0.033 A ENDBRANCH 1 17 BRANCH 6 19 ATOM 19 C LIG 1 3.937 -0.896 0.190 0.00 0.00 +0.005 A ATOM 20 C LIG 1 4.440 -1.373 -0.962 0.00 0.00 +0.080 A ATOM 21 C LIG 1 5.906 -1.389 -1.212 0.00 0.00 +0.252 A ATOM 22 O LIG 1 6.319 -1.802 -2.292 0.00 0.00 -0.268 OA ATOM 23 N LIG 1 6.708 -0.919 -0.176 0.00 0.00 -0.318 N ATOM 24 C LIG 1 8.153 -0.914 -0.338 0.00 0.00 +0.152 C ATOM 25 C LIG 1 6.176 -0.466 1.017 0.00 0.00 +0.089 A ATOM 26 C LIG 1 4.854 -0.448 1.220 0.00 0.00 +0.028 A ENDBRANCH 6 19 BRANCH 2 27 ATOM 27 C LIG 1 -1.312 1.413 -0.236 0.00 0.00 -0.021 A ATOM 28 C LIG 1 -1.361 1.967 1.056 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -1.683 3.313 1.244 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -1.957 4.120 0.144 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 -2.350 5.779 0.375 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 -1.913 3.593 -1.144 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -1.591 2.247 -1.334 0.00 0.00 +0.007 A ENDBRANCH 2 27 BRANCH 7 34 ATOM 34 C LIG 1 2.042 0.816 -1.469 0.00 0.00 +0.088 C ATOM 35 C LIG 1 3.179 1.810 -1.363 0.00 0.00 +0.027 C ATOM 36 C LIG 1 1.769 2.301 -1.394 0.00 0.00 +0.027 C ENDBRANCH 7 34 TORSDOF 4