REMARK Name = BDB054048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.967 0.810 0.561 0.00 0.00 -0.241 N ATOM 2 C LIG 1 1.104 1.824 1.042 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -0.060 1.205 1.514 0.00 0.00 +0.071 A ATOM 4 C LIG 1 -1.109 1.918 2.064 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.976 3.305 2.143 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.189 3.939 1.682 0.00 0.00 +0.002 A ATOM 7 N LIG 1 0.073 -0.175 1.325 0.00 0.00 -0.287 N ATOM 8 C LIG 1 1.242 3.199 1.131 0.00 0.00 +0.028 A ATOM 9 C LIG 1 1.317 -0.440 0.708 0.00 0.00 +0.336 A ATOM 10 O LIG 1 1.684 -1.553 0.363 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.724 -0.975 -1.215 0.00 0.00 +0.124 A ATOM 12 C LIG 1 6.454 0.381 -1.419 0.00 0.00 +0.095 A ATOM 13 C LIG 1 5.233 0.862 -0.949 0.00 0.00 +0.173 A ATOM 14 C LIG 1 4.266 0.103 -0.311 0.00 0.00 +0.066 A ATOM 15 C LIG 1 3.206 1.040 -0.036 0.00 0.00 +0.192 A ATOM 16 N LIG 1 3.580 2.265 -0.453 0.00 0.00 -0.059 NA ATOM 17 C LIG 1 4.574 -1.255 -0.092 0.00 0.00 +0.019 A ATOM 18 O LIG 1 4.816 2.144 -1.034 0.00 0.00 -0.352 OA ATOM 19 C LIG 1 5.797 -1.780 -0.553 0.00 0.00 +0.046 A BRANCH 11 21 ATOM 20 C LIG 1 8.258 -2.763 -1.560 0.00 0.00 +0.277 C ATOM 21 O LIG 1 7.938 -1.384 -1.700 0.00 0.00 -0.495 OA ENDBRANCH 11 21 ENDBRANCH 1 15 BRANCH 7 22 ATOM 22 C LIG 1 -0.936 -1.171 1.585 0.00 0.00 +0.162 C BRANCH 22 23 ATOM 23 C LIG 1 -1.963 -1.266 0.479 0.00 0.00 -0.027 A ATOM 24 C LIG 1 -3.264 -0.772 0.663 0.00 0.00 +0.013 A ATOM 25 C LIG 1 -4.224 -0.820 -0.365 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -3.858 -1.415 -1.583 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -2.570 -1.915 -1.776 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -1.626 -1.836 -0.754 0.00 0.00 +0.005 A BRANCH 25 29 ATOM 29 C LIG 1 -5.632 -0.276 -0.148 0.00 0.00 +0.214 C ATOM 30 C LIG 1 -6.137 0.635 -1.280 0.00 0.00 +0.290 C ATOM 31 O LIG 1 -6.404 0.273 -2.417 0.00 0.00 -0.269 OA ATOM 32 N LIG 1 -6.284 1.918 -0.818 0.00 0.00 -0.107 NA ATOM 33 C LIG 1 -5.995 1.818 0.420 0.00 0.00 +0.381 C ATOM 34 O LIG 1 -5.653 0.640 0.964 0.00 0.00 -0.431 OA ATOM 35 C LIG 1 -6.636 -1.391 0.130 0.00 0.00 +0.071 C BRANCH 33 36 ATOM 36 O LIG 1 -6.010 2.835 1.278 0.00 0.00 -0.467 OA ATOM 37 H LIG 1 -6.269 3.634 0.790 0.00 0.00 +0.297 HD ENDBRANCH 33 36 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 6