REMARK Name = BDB047038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.840 2.251 0.750 0.00 0.00 +0.129 A ATOM 2 C LIG 1 0.136 1.085 1.100 0.00 0.00 +0.066 A ATOM 3 C LIG 1 0.440 -0.168 1.725 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -0.737 -0.891 1.792 0.00 0.00 +0.097 A ATOM 5 N LIG 1 -1.730 -0.134 1.227 0.00 0.00 -0.328 N ATOM 6 C LIG 1 -1.224 1.070 0.798 0.00 0.00 +0.147 A ATOM 7 N LIG 1 -1.911 2.058 0.197 0.00 0.00 -0.218 NA ATOM 8 C LIG 1 -1.131 3.105 -0.103 0.00 0.00 +0.225 A ATOM 9 N LIG 1 0.181 3.257 0.143 0.00 0.00 -0.220 NA ENDROOT BRANCH 3 10 ATOM 10 C LIG 1 1.706 -0.699 2.202 0.00 0.00 -0.012 A ATOM 11 C LIG 1 2.816 -0.739 1.344 0.00 0.00 +0.054 A ATOM 12 C LIG 1 4.042 -1.227 1.798 0.00 0.00 +0.122 A ATOM 13 C LIG 1 4.149 -1.693 3.111 0.00 0.00 +0.046 A ATOM 14 C LIG 1 3.049 -1.666 3.967 0.00 0.00 +0.004 A ATOM 15 C LIG 1 1.828 -1.168 3.514 0.00 0.00 +0.009 A BRANCH 12 16 ATOM 16 O LIG 1 5.197 -1.304 1.070 0.00 0.00 -0.487 OA BRANCH 16 17 ATOM 17 C LIG 1 5.168 -0.766 -0.254 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 C LIG 1 6.536 -0.915 -0.880 0.00 0.00 -0.010 A ATOM 19 C LIG 1 7.145 0.170 -1.526 0.00 0.00 +0.007 A ATOM 20 C LIG 1 8.396 0.023 -2.130 0.00 0.00 +0.000 A ATOM 21 C LIG 1 9.047 -1.209 -2.100 0.00 0.00 +0.000 A ATOM 22 C LIG 1 8.448 -2.296 -1.468 0.00 0.00 +0.000 A ATOM 23 C LIG 1 7.198 -2.152 -0.865 0.00 0.00 +0.007 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 3 10 BRANCH 5 24 ATOM 24 C LIG 1 -3.122 -0.624 1.127 0.00 0.00 +0.089 C ATOM 25 C LIG 1 -3.749 -0.539 -0.280 0.00 0.00 +0.030 C ATOM 26 C LIG 1 -5.073 -0.107 0.414 0.00 0.00 +0.007 C ATOM 27 C LIG 1 -4.207 0.359 1.617 0.00 0.00 +0.030 C BRANCH 26 28 ATOM 28 C LIG 1 -5.890 0.984 -0.273 0.00 0.00 +0.088 C BRANCH 28 29 ATOM 29 N LIG 1 -6.494 0.467 -1.506 0.00 0.00 -0.302 NA ATOM 30 C LIG 1 -7.725 -0.318 -1.220 0.00 0.00 +0.085 C ATOM 31 C LIG 1 -8.371 0.388 -2.426 0.00 0.00 +0.031 C ATOM 32 C LIG 1 -7.353 1.506 -2.135 0.00 0.00 +0.085 C ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 5 24 BRANCH 1 33 ATOM 33 N LIG 1 2.189 2.459 1.007 0.00 0.00 -0.343 N ATOM 34 H LIG 1 2.406 3.447 0.944 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 2.531 1.986 1.835 0.00 0.00 +0.144 HD ENDBRANCH 1 33 TORSDOF 8