REMARK Name = BDB036978 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.818 -2.689 1.128 0.00 0.00 +0.040 A ATOM 2 C LIG 1 2.909 -1.829 1.074 0.00 0.00 +0.070 A ATOM 3 C LIG 1 3.016 -0.477 0.520 0.00 0.00 +0.256 C ATOM 4 N LIG 1 4.315 -0.079 0.684 0.00 0.00 -0.222 N ATOM 5 C LIG 1 5.052 -1.035 1.326 0.00 0.00 +0.255 C ATOM 6 O LIG 1 6.216 -1.000 1.676 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 2.099 0.121 -0.015 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 4.163 -2.172 1.551 0.00 0.00 +0.051 A ATOM 9 C LIG 1 4.418 -3.398 2.128 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.347 -4.287 2.216 0.00 0.00 +0.003 A ATOM 11 C LIG 1 2.066 -3.932 1.731 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 4.775 1.266 0.374 0.00 0.00 +0.171 C ATOM 13 C LIG 1 4.843 2.088 1.665 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.197 1.826 2.679 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 5.636 3.213 1.615 0.00 0.00 -0.255 N ATOM 16 H LIG 1 5.673 3.763 2.462 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.492 3.596 0.612 0.00 0.00 +0.219 C ATOM 18 O LIG 1 7.198 4.593 0.729 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.467 2.768 -0.652 0.00 0.00 +0.098 C ATOM 20 C LIG 1 6.115 1.318 -0.355 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 0.552 -2.267 0.719 0.00 0.00 -0.343 N ATOM 22 H LIG 1 0.613 -1.412 0.157 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.415 -3.240 0.226 0.00 0.00 +0.105 C BRANCH 23 28 ATOM 24 C LIG 1 -3.862 0.995 -1.347 0.00 0.00 +0.403 C ATOM 25 N LIG 1 -3.070 -0.020 -0.838 0.00 0.00 -0.267 N ATOM 26 C LIG 1 -3.541 -0.915 0.213 0.00 0.00 +0.111 C ATOM 27 C LIG 1 -2.424 -1.774 0.795 0.00 0.00 +0.024 C ATOM 28 C LIG 1 -1.683 -2.549 -0.308 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -1.409 -1.682 -1.557 0.00 0.00 +0.024 C ATOM 30 C LIG 1 -1.714 -0.203 -1.336 0.00 0.00 +0.111 C ATOM 31 O LIG 1 -3.490 1.784 -2.206 0.00 0.00 -0.226 OA BRANCH 24 32 ATOM 32 O LIG 1 -5.099 0.999 -0.784 0.00 0.00 -0.445 OA BRANCH 32 34 ATOM 33 C LIG 1 -6.476 1.841 -2.646 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -6.093 1.982 -1.169 0.00 0.00 +0.107 C ATOM 35 C LIG 1 -5.635 3.404 -0.827 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -7.322 1.645 -0.311 0.00 0.00 +0.055 C ENDBRANCH 32 34 ENDBRANCH 24 32 ENDBRANCH 23 28 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6