REMARK Name = BDB001566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.934 -1.065 0.986 0.00 0.00 -0.313 NA ATOM 2 H LIG 1 0.927 -2.053 1.240 0.00 0.00 +0.122 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.530 -0.252 2.138 0.00 0.00 +0.100 C BRANCH 3 4 ATOM 4 C LIG 1 1.655 -0.060 3.181 0.00 0.00 +0.123 C BRANCH 4 7 ATOM 5 O LIG 1 4.856 0.945 1.717 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 3.951 0.205 2.118 0.00 0.00 +0.220 C ATOM 7 N LIG 1 2.805 0.730 2.716 0.00 0.00 -0.296 N BRANCH 7 8 ATOM 8 C LIG 1 2.716 2.189 2.848 0.00 0.00 +0.142 C BRANCH 8 9 ATOM 9 C LIG 1 1.812 2.848 1.833 0.00 0.00 -0.030 A ATOM 10 C LIG 1 2.112 2.781 0.464 0.00 0.00 +0.005 A ATOM 11 C LIG 1 1.284 3.400 -0.475 0.00 0.00 +0.000 A ATOM 12 C LIG 1 0.151 4.093 -0.055 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -0.156 4.171 1.302 0.00 0.00 +0.000 A ATOM 14 C LIG 1 0.672 3.556 2.243 0.00 0.00 +0.005 A ENDBRANCH 8 9 ENDBRANCH 7 8 BRANCH 6 15 ATOM 15 C LIG 1 4.111 -1.313 2.049 0.00 0.00 +0.131 C BRANCH 15 16 ATOM 16 C LIG 1 4.921 -1.790 0.864 0.00 0.00 -0.039 A ATOM 17 C LIG 1 6.197 -2.343 1.040 0.00 0.00 +0.004 A ATOM 18 C LIG 1 6.931 -2.790 -0.060 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.398 -2.688 -1.344 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.132 -2.137 -1.531 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.397 -1.690 -0.433 0.00 0.00 +0.004 A ENDBRANCH 15 16 ENDBRANCH 6 15 ENDBRANCH 4 7 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 22 ATOM 22 C LIG 1 0.093 -0.848 -0.196 0.00 0.00 +0.100 C BRANCH 22 23 ATOM 23 C LIG 1 -1.391 -1.222 -0.017 0.00 0.00 +0.123 C BRANCH 23 24 ATOM 24 N LIG 1 -2.167 -1.049 -1.251 0.00 0.00 -0.296 N ATOM 25 C LIG 1 -2.859 0.115 -1.594 0.00 0.00 +0.220 C ATOM 26 O LIG 1 -3.530 0.178 -2.626 0.00 0.00 -0.275 OA BRANCH 25 27 ATOM 27 C LIG 1 -2.765 1.289 -0.620 0.00 0.00 +0.131 C BRANCH 27 28 ATOM 28 C LIG 1 -3.258 2.619 -1.149 0.00 0.00 -0.039 A ATOM 29 C LIG 1 -2.741 3.159 -2.337 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -3.164 4.409 -2.793 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.100 5.138 -2.063 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.615 4.617 -0.878 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.195 3.367 -0.421 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 25 27 BRANCH 24 34 ATOM 34 C LIG 1 -2.200 -2.179 -2.184 0.00 0.00 +0.142 C BRANCH 34 35 ATOM 35 C LIG 1 -3.099 -3.295 -1.705 0.00 0.00 -0.030 A ATOM 36 C LIG 1 -2.565 -4.533 -1.320 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -3.402 -5.558 -0.875 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.780 -5.356 -0.812 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.323 -4.131 -1.195 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.488 -3.106 -1.641 0.00 0.00 +0.005 A ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 14