REMARK Name = BDB017562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.281 2.667 -1.750 0.00 0.00 +0.119 C ENDROOT BRANCH 1 17 ATOM 2 C LIG 1 -4.738 2.108 1.828 0.00 0.00 +0.044 C ATOM 3 C LIG 1 -4.141 1.540 0.567 0.00 0.00 -0.039 A ATOM 4 C LIG 1 -4.550 0.321 -0.027 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.810 -0.133 -1.141 0.00 0.00 +0.051 A ATOM 6 N LIG 1 -4.072 -1.388 -1.701 0.00 0.00 -0.322 N ATOM 7 H LIG 1 -3.506 -1.738 -2.462 0.00 0.00 +0.169 HD ATOM 8 C LIG 1 -5.002 -2.257 -1.221 0.00 0.00 +0.254 A ATOM 9 C LIG 1 -5.874 -1.760 -0.128 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -7.038 -2.638 0.250 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -8.168 -1.845 0.911 0.00 0.00 +0.023 C ATOM 12 C LIG 1 -7.606 -0.909 1.970 0.00 0.00 +0.102 C ATOM 13 N LIG 1 -6.569 -0.065 1.387 0.00 0.00 -0.343 N ATOM 14 H LIG 1 -6.899 0.868 1.148 0.00 0.00 +0.146 HD ATOM 15 O LIG 1 -5.130 -3.380 -1.699 0.00 0.00 -0.268 OA ATOM 16 C LIG 1 -2.770 0.616 -1.704 0.00 0.00 +0.031 A ATOM 17 C LIG 1 -2.402 1.842 -1.153 0.00 0.00 -0.031 A ATOM 18 C LIG 1 -5.682 -0.545 0.427 0.00 0.00 +0.045 A ATOM 19 C LIG 1 -3.097 2.290 -0.023 0.00 0.00 +0.009 A ENDBRANCH 1 17 BRANCH 1 20 ATOM 20 N LIG 1 0.070 2.412 -1.246 0.00 0.00 -0.295 NA ATOM 21 C LIG 1 0.642 1.097 -1.596 0.00 0.00 +0.103 C ATOM 22 C LIG 1 0.918 0.187 -0.379 0.00 0.00 +0.122 C ATOM 23 N LIG 1 1.837 0.835 0.583 0.00 0.00 -0.313 N ATOM 24 C LIG 1 1.662 2.305 0.693 0.00 0.00 +0.122 C ATOM 25 C LIG 1 0.278 2.757 0.170 0.00 0.00 +0.103 C BRANCH 23 26 ATOM 26 C LIG 1 3.186 0.459 0.464 0.00 0.00 +0.121 A ATOM 27 N LIG 1 3.590 -0.284 -0.591 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 4.899 -0.633 -0.674 0.00 0.00 +0.126 A ATOM 29 C LIG 1 5.851 -0.302 0.274 0.00 0.00 +0.055 A ATOM 30 C LIG 1 5.440 0.469 1.355 0.00 0.00 +0.018 A ATOM 31 C LIG 1 4.099 0.844 1.452 0.00 0.00 +0.044 A BRANCH 29 32 ATOM 32 C LIG 1 7.269 -0.711 0.152 0.00 0.00 +0.246 C ATOM 33 N LIG 1 7.489 -1.956 -0.415 0.00 0.00 -0.308 N ATOM 34 H LIG 1 6.684 -2.554 -0.562 0.00 0.00 +0.149 HD ATOM 35 O LIG 1 8.134 0.047 0.575 0.00 0.00 -0.270 OA BRANCH 33 36 ATOM 36 C LIG 1 8.764 -2.579 -0.627 0.00 0.00 +0.073 C ATOM 37 C LIG 1 10.003 -1.819 -1.004 0.00 0.00 +0.024 C ATOM 38 C LIG 1 9.903 -2.474 0.346 0.00 0.00 +0.024 C ENDBRANCH 33 36 ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 1 20 TORSDOF 5