REMARK Name = BDB013564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.473 -1.901 0.025 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.138 -2.840 -0.971 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -2.136 -3.821 -1.522 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.172 -2.863 -1.473 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.144 -1.976 -1.006 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.841 -1.053 -0.003 0.00 0.00 -0.043 A ATOM 7 C LIG 1 -0.467 -1.044 0.511 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.876 -1.761 0.588 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.619 0.789 -1.625 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.673 2.104 -1.039 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -5.379 2.205 0.121 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -5.021 1.610 1.325 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -5.839 1.775 2.455 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -6.995 2.552 2.381 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -7.332 3.179 1.184 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -3.514 0.705 1.502 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -3.588 0.018 2.777 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -2.415 1.605 1.224 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -3.588 -0.483 0.289 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.521 3.012 0.062 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -3.409 0.002 -1.108 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -5.934 -1.248 -2.459 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.959 0.022 -1.622 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 1.838 -0.023 0.524 0.00 0.00 +0.030 C BRANCH 24 25 ATOM 25 C LIG 1 3.318 -0.463 0.410 0.00 0.00 +0.018 C BRANCH 25 26 ATOM 26 C LIG 1 4.348 0.457 1.107 0.00 0.00 +0.039 C ATOM 27 C LIG 1 4.132 0.537 2.622 0.00 0.00 +0.014 C BRANCH 26 28 ATOM 28 C LIG 1 5.743 0.005 0.800 0.00 0.00 +0.086 A ATOM 29 N LIG 1 6.194 -1.236 1.172 0.00 0.00 -0.134 NA ATOM 30 N LIG 1 7.451 -1.358 0.770 0.00 0.00 -0.065 NA ATOM 31 N LIG 1 7.791 -0.211 0.161 0.00 0.00 -0.252 N ATOM 32 C LIG 1 6.756 0.673 0.147 0.00 0.00 +0.133 A BRANCH 31 33 ATOM 33 C LIG 1 9.116 -0.039 -0.390 0.00 0.00 +0.142 C ATOM 34 C LIG 1 10.124 0.389 0.661 0.00 0.00 +0.029 C ENDBRANCH 31 33 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 1.544 1.364 -0.075 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 1.811 1.459 -1.552 0.00 0.00 +0.305 C ATOM 37 O LIG 1 1.018 1.265 -2.457 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 3.084 1.806 -1.829 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 3.102 1.831 -2.810 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 11