REMARK Name = BDB003738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.316 -0.176 -2.425 0.00 0.00 -0.267 OA ATOM 2 C LIG 1 2.838 -0.000 -1.306 0.00 0.00 +0.266 A ATOM 3 N LIG 1 3.557 0.089 -0.101 0.00 0.00 -0.243 N ATOM 4 C LIG 1 2.929 0.201 1.153 0.00 0.00 +0.266 A ATOM 5 O LIG 1 3.492 0.384 2.231 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 1.448 0.163 1.187 0.00 0.00 +0.048 A ATOM 7 C LIG 1 0.713 0.117 0.004 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -0.711 0.127 0.056 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -1.356 0.161 1.291 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -2.836 0.124 1.369 0.00 0.00 +0.266 A ATOM 11 N LIG 1 -3.555 0.154 0.161 0.00 0.00 -0.243 N ATOM 12 C LIG 1 -2.927 0.162 -1.097 0.00 0.00 +0.266 A ATOM 13 O LIG 1 -3.487 0.265 -2.187 0.00 0.00 -0.267 OA ATOM 14 O LIG 1 -3.316 0.015 2.496 0.00 0.00 -0.267 OA ATOM 15 C LIG 1 -0.605 0.198 2.474 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -1.446 0.103 -1.128 0.00 0.00 +0.048 A ATOM 17 C LIG 1 -0.785 0.055 -2.362 0.00 0.00 +0.014 A ATOM 18 C LIG 1 0.607 0.028 -2.413 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.787 0.205 2.422 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.358 0.060 -1.230 0.00 0.00 +0.048 A ENDROOT BRANCH 3 21 ATOM 21 C LIG 1 5.008 0.067 -0.152 0.00 0.00 +0.053 A ATOM 22 C LIG 1 5.714 0.622 -1.236 0.00 0.00 +0.030 A ATOM 23 C LIG 1 7.113 0.598 -1.292 0.00 0.00 +0.047 A ATOM 24 C LIG 1 7.829 0.014 -0.257 0.00 0.00 +0.117 A ATOM 25 C LIG 1 7.168 -0.540 0.827 0.00 0.00 +0.047 A ATOM 26 C LIG 1 5.769 -0.513 0.878 0.00 0.00 +0.030 A BRANCH 24 27 ATOM 27 O LIG 1 9.190 -0.035 -0.270 0.00 0.00 -0.507 OA ATOM 28 H LIG 1 9.509 0.381 -1.087 0.00 0.00 +0.292 HD ENDBRANCH 24 27 ENDBRANCH 3 21 BRANCH 11 29 ATOM 29 C LIG 1 -5.006 0.176 0.216 0.00 0.00 +0.053 A ATOM 30 C LIG 1 -5.788 -0.449 -0.773 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -7.188 -0.425 -0.727 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -7.827 0.227 0.317 0.00 0.00 +0.117 A ATOM 33 C LIG 1 -7.089 0.850 1.310 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -5.690 0.824 1.259 0.00 0.00 +0.030 A BRANCH 32 35 ATOM 35 O LIG 1 -9.185 0.278 0.402 0.00 0.00 -0.507 OA ATOM 36 H LIG 1 -9.562 -0.190 -0.361 0.00 0.00 +0.292 HD ENDBRANCH 32 35 ENDBRANCH 11 29 TORSDOF 4