REMARK Name = BDB034242 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.537 -0.228 1.350 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.574 -0.340 0.559 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.569 0.632 0.405 0.00 0.00 +0.051 A ATOM 4 C LIG 1 2.641 0.347 -0.427 0.00 0.00 -0.015 A ATOM 5 C LIG 1 3.809 1.199 -0.798 0.00 0.00 +0.144 C ATOM 6 N LIG 1 4.638 0.290 -1.589 0.00 0.00 -0.282 N ATOM 7 C LIG 1 3.954 -0.886 -1.881 0.00 0.00 +0.248 C ATOM 8 O LIG 1 4.273 -1.775 -2.645 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.721 -0.875 -1.087 0.00 0.00 +0.042 A ATOM 10 C LIG 1 1.758 -1.854 -0.955 0.00 0.00 +0.017 A ATOM 11 C LIG 1 0.678 -1.575 -0.114 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 5.785 0.754 -2.381 0.00 0.00 +0.163 C ATOM 13 C LIG 1 6.328 2.103 -1.880 0.00 0.00 +0.240 C ATOM 14 O LIG 1 5.741 3.168 -2.065 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 7.436 2.063 -1.065 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.722 2.948 -0.671 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.020 0.952 -0.511 0.00 0.00 +0.219 C ATOM 18 O LIG 1 8.828 1.059 0.407 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 7.570 -0.388 -1.039 0.00 0.00 +0.098 C ATOM 20 C LIG 1 6.948 -0.247 -2.420 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 -2.485 1.112 1.928 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -0.930 1.074 1.821 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -0.294 1.317 3.205 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -1.161 0.852 4.380 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -2.042 -0.333 4.015 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -3.004 -0.007 2.866 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 -4.468 0.462 -0.787 0.00 0.00 +0.048 C ATOM 28 C LIG 1 -3.049 0.071 -0.266 0.00 0.00 +0.094 C ATOM 29 N LIG 1 -3.108 1.268 0.599 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -4.581 1.182 0.593 0.00 0.00 +0.094 C BRANCH 27 32 ATOM 31 C LIG 1 -5.230 -1.665 -2.172 0.00 0.00 +0.055 A ATOM 32 C LIG 1 -5.503 -0.695 -1.174 0.00 0.00 -0.025 A ATOM 33 C LIG 1 -6.770 -0.787 -0.554 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.696 -1.782 -0.881 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.390 -2.725 -1.854 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.160 -2.666 -2.501 0.00 0.00 +0.019 A BRANCH 31 38 ATOM 37 N LIG 1 -2.982 -1.634 -3.470 0.00 0.00 -0.191 NA ATOM 38 C LIG 1 -3.986 -1.643 -2.889 0.00 0.00 +0.099 C ENDBRANCH 31 38 ENDBRANCH 27 32 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6