REMARK Name = BDB061270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 4.082 3.901 -2.053 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 3.633 2.974 -1.391 0.00 0.00 +0.197 A ATOM 3 C LIG 1 2.599 3.110 -0.337 0.00 0.00 +0.106 A ATOM 4 C LIG 1 2.170 1.948 0.321 0.00 0.00 +0.151 A ATOM 5 C LIG 1 1.188 2.007 1.333 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.663 3.262 1.673 0.00 0.00 +0.128 A ATOM 7 C LIG 1 1.081 4.425 1.026 0.00 0.00 +0.092 A ATOM 8 O LIG 1 2.675 0.703 0.020 0.00 0.00 -0.454 OA ATOM 9 C LIG 1 3.664 0.590 -0.936 0.00 0.00 +0.139 A ATOM 10 C LIG 1 2.046 4.346 0.022 0.00 0.00 +0.135 A ATOM 11 C LIG 1 4.148 1.619 -1.640 0.00 0.00 +0.098 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 4.150 -0.785 -1.149 0.00 0.00 +0.018 A ATOM 13 C LIG 1 3.236 -1.842 -1.274 0.00 0.00 +0.015 A ATOM 14 C LIG 1 3.682 -3.151 -1.464 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.045 -3.412 -1.525 0.00 0.00 +0.117 A ATOM 16 C LIG 1 5.972 -2.384 -1.397 0.00 0.00 +0.046 A ATOM 17 C LIG 1 5.523 -1.074 -1.206 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 5.437 -4.704 -1.712 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 6.407 -4.735 -1.737 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 9 12 BRANCH 6 20 ATOM 20 O LIG 1 -0.262 3.347 2.676 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -0.666 4.229 2.674 0.00 0.00 +0.292 HD ENDBRANCH 6 20 BRANCH 10 22 ATOM 22 O LIG 1 2.444 5.498 -0.595 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 1.959 6.262 -0.248 0.00 0.00 +0.292 HD ENDBRANCH 10 22 BRANCH 5 24 ATOM 24 C LIG 1 0.697 0.751 2.029 0.00 0.00 +0.127 C BRANCH 24 25 ATOM 25 N LIG 1 -0.606 0.276 1.528 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 -1.172 -0.719 2.463 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -2.523 -1.294 1.976 0.00 0.00 +0.100 C ATOM 28 N LIG 1 -2.417 -1.873 0.633 0.00 0.00 -0.297 NA ATOM 29 C LIG 1 -1.843 -0.908 -0.313 0.00 0.00 +0.100 C ATOM 30 C LIG 1 -0.496 -0.338 0.189 0.00 0.00 +0.100 C BRANCH 28 31 ATOM 31 C LIG 1 -3.633 -2.545 0.155 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 C LIG 1 -4.777 -1.787 -0.556 0.00 0.00 +0.132 C ATOM 33 O LIG 1 -4.396 -1.314 -1.864 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -5.140 -0.115 -2.137 0.00 0.00 +0.160 C ATOM 35 C LIG 1 -6.119 0.073 -0.994 0.00 0.00 +0.031 C ATOM 36 C LIG 1 -5.397 -0.597 0.152 0.00 0.00 +0.035 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8