REMARK Name = BDB041385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.288 -1.295 0.360 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.557 -2.034 1.540 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.134 -1.794 2.732 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -0.309 -2.665 3.786 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.303 -3.525 3.388 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.125 -0.780 2.753 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.430 -0.029 1.612 0.00 0.00 -0.038 A ATOM 8 S LIG 1 -1.716 -3.304 1.753 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.714 -0.304 0.438 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.021 -1.513 -0.950 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 -4.541 -0.916 -2.302 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.286 -0.565 -1.131 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.916 0.617 -0.551 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -3.635 1.178 -0.516 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -3.401 2.397 0.053 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 -4.430 3.024 0.644 0.00 0.00 +0.213 A ATOM 17 C LIG 1 -5.714 2.520 0.702 0.00 0.00 +0.070 A ATOM 18 C LIG 1 -2.403 0.507 -1.096 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -2.379 -0.954 -0.945 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 -5.954 1.294 0.091 0.00 0.00 +0.053 A ATOM 21 C LIG 1 -3.227 -1.640 -1.935 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 -5.994 -3.039 -2.549 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.446 -1.777 -3.204 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 16 24 ATOM 24 O LIG 1 -4.119 4.228 1.203 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -4.914 4.568 1.637 0.00 0.00 +0.294 HD ENDBRANCH 16 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.468 1.098 1.587 0.00 0.00 +0.061 C BRANCH 26 27 ATOM 27 C LIG 1 3.588 0.882 0.562 0.00 0.00 -0.016 A ATOM 28 C LIG 1 4.028 1.921 -0.304 0.00 0.00 -0.014 A ATOM 29 C LIG 1 3.416 3.291 -0.308 0.00 0.00 +0.046 C ATOM 30 C LIG 1 5.073 1.588 -1.188 0.00 0.00 +0.135 A ATOM 31 N LIG 1 5.729 2.320 -2.147 0.00 0.00 -0.128 NA ATOM 32 N LIG 1 6.644 1.538 -2.713 0.00 0.00 -0.063 NA ATOM 33 N LIG 1 6.563 0.329 -2.118 0.00 0.00 -0.230 N ATOM 34 C LIG 1 7.435 -0.737 -2.521 0.00 0.00 +0.176 C ATOM 35 C LIG 1 5.595 0.306 -1.157 0.00 0.00 +0.179 A ATOM 36 N LIG 1 5.229 -0.717 -0.365 0.00 0.00 -0.234 NA ATOM 37 C LIG 1 4.221 -0.373 0.474 0.00 0.00 +0.117 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 3.012 1.613 2.936 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 4.100 0.779 3.558 0.00 0.00 +0.306 C ATOM 40 O LIG 1 4.149 -0.435 3.639 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 5.073 1.535 4.104 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 5.709 0.886 4.471 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 7 26 TORSDOF 9