REMARK Name = BDB000374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.812 0.798 0.564 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.446 -0.607 0.788 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 -1.158 -1.037 1.382 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -0.518 -1.121 -0.091 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.021 1.430 -0.564 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 1.575 1.429 -0.480 0.00 0.00 -0.003 C BRANCH 6 7 ATOM 7 C LIG 1 2.211 2.203 0.715 0.00 0.00 -0.014 C ATOM 8 C LIG 1 1.625 3.612 0.863 0.00 0.00 +0.007 C ATOM 9 C LIG 1 2.196 1.493 2.070 0.00 0.00 +0.007 C ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 2.171 0.018 -0.709 0.00 0.00 +0.039 C BRANCH 10 15 ATOM 11 C LIG 1 5.982 -0.337 -0.715 0.00 0.00 +0.162 A ATOM 12 C LIG 1 6.293 0.008 -2.044 0.00 0.00 +0.162 A ATOM 13 C LIG 1 5.265 0.380 -2.914 0.00 0.00 +0.049 A ATOM 14 C LIG 1 3.938 0.390 -2.478 0.00 0.00 +0.007 A ATOM 15 C LIG 1 3.615 0.027 -1.166 0.00 0.00 -0.043 A ATOM 16 C LIG 1 4.647 -0.338 -0.290 0.00 0.00 +0.053 A BRANCH 12 17 ATOM 17 O LIG 1 7.622 -0.026 -2.384 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 7.947 0.123 -3.759 0.00 0.00 +0.277 C ENDBRANCH 12 17 BRANCH 11 19 ATOM 19 O LIG 1 7.041 -0.689 0.081 0.00 0.00 -0.488 OA BRANCH 19 20 ATOM 20 C LIG 1 6.832 -0.691 1.494 0.00 0.00 +0.231 C BRANCH 20 21 ATOM 21 C LIG 1 8.191 -0.832 2.178 0.00 0.00 +0.069 C BRANCH 21 22 ATOM 22 C LIG 1 8.819 -2.200 1.937 0.00 0.00 +0.163 C BRANCH 22 24 ATOM 23 C LIG 1 8.578 -4.493 2.421 0.00 0.00 +0.193 C ATOM 24 O LIG 1 8.063 -3.186 2.643 0.00 0.00 -0.383 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 10 15 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 -2.345 0.873 0.274 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 -3.062 0.179 1.312 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -2.697 0.482 2.163 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -2.889 2.306 0.173 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 -4.428 2.417 0.155 0.00 0.00 +0.074 C ATOM 30 C LIG 1 -4.846 3.876 -0.032 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -5.026 1.554 -0.955 0.00 0.00 +0.216 C ATOM 32 N LIG 1 -5.293 0.261 -0.554 0.00 0.00 -0.314 N ATOM 33 H LIG 1 -4.814 -0.046 0.292 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 -5.202 1.964 -2.097 0.00 0.00 -0.276 OA BRANCH 32 35 ATOM 35 C LIG 1 -5.641 -0.765 -1.525 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 C LIG 1 -6.415 -1.946 -0.904 0.00 0.00 +0.103 C BRANCH 36 37 ATOM 37 N LIG 1 -7.881 -1.808 -0.881 0.00 0.00 -0.299 NA ATOM 38 C LIG 1 -8.356 -0.597 -0.200 0.00 0.00 +0.095 C ATOM 39 C LIG 1 -9.887 -0.461 -0.235 0.00 0.00 +0.084 C ATOM 40 S LIG 1 -10.753 -1.748 0.722 0.00 0.00 -0.158 S ATOM 41 C LIG 1 -9.410 -2.970 0.836 0.00 0.00 +0.084 C ATOM 42 C LIG 1 -8.542 -3.048 -0.432 0.00 0.00 +0.095 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 20