REMARK Name = BDB046492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.159 1.378 -1.562 0.00 0.00 -0.303 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.635 0.388 -0.910 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.440 -0.984 -1.181 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -1.170 -1.970 -0.514 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -2.130 -1.612 0.425 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -2.374 -0.266 0.684 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -1.640 0.724 0.015 0.00 0.00 +0.024 A BRANCH 5 8 ATOM 8 C LIG 1 -2.832 -2.636 1.125 0.00 0.00 +0.008 C ATOM 9 C LIG 1 -3.416 -3.622 1.747 0.00 0.00 +0.111 C ATOM 10 C LIG 1 -2.812 -4.974 1.708 0.00 0.00 +0.277 C ATOM 11 O LIG 1 -1.700 -5.148 1.203 0.00 0.00 -0.268 OA ATOM 12 N LIG 1 -3.556 -5.934 2.256 0.00 0.00 -0.122 NA ATOM 13 C LIG 1 -4.837 -5.681 2.575 0.00 0.00 +0.353 C ATOM 14 O LIG 1 -5.685 -6.569 2.504 0.00 0.00 -0.248 OA ATOM 15 N LIG 1 -5.145 -4.488 3.112 0.00 0.00 -0.122 NA ATOM 16 C LIG 1 -4.615 -3.389 2.582 0.00 0.00 +0.277 C ATOM 17 O LIG 1 -5.029 -2.243 2.771 0.00 0.00 -0.268 OA ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 1.502 0.964 -2.001 0.00 0.00 +0.123 C BRANCH 18 19 ATOM 19 C LIG 1 2.888 0.379 -2.340 0.00 0.00 +0.164 C BRANCH 19 20 ATOM 20 O LIG 1 4.066 -0.198 -2.563 0.00 0.00 -0.347 OA BRANCH 20 21 ATOM 21 C LIG 1 4.268 -1.054 -1.565 0.00 0.00 +0.167 C BRANCH 21 25 ATOM 22 C LIG 1 4.826 -3.730 1.683 0.00 0.00 +0.122 A ATOM 23 C LIG 1 5.899 -2.972 1.188 0.00 0.00 +0.046 A ATOM 24 C LIG 1 5.719 -2.094 0.114 0.00 0.00 +0.010 A ATOM 25 C LIG 1 4.464 -1.962 -0.474 0.00 0.00 -0.009 A ATOM 26 C LIG 1 3.388 -2.700 0.019 0.00 0.00 +0.010 A ATOM 27 C LIG 1 3.568 -3.577 1.093 0.00 0.00 +0.046 A BRANCH 22 29 ATOM 28 C LIG 1 6.170 -4.903 3.254 0.00 0.00 +0.252 C ATOM 29 O LIG 1 4.887 -4.623 2.732 0.00 0.00 -0.473 OA ENDBRANCH 22 29 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 1 30 ATOM 30 C LIG 1 0.100 2.770 -1.105 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 C LIG 1 0.006 4.232 -0.613 0.00 0.00 +0.228 C BRANCH 31 32 ATOM 32 O LIG 1 -0.089 5.487 -0.178 0.00 0.00 -0.459 OA BRANCH 32 33 ATOM 33 C LIG 1 -0.776 6.306 -1.056 0.00 0.00 +0.215 A ATOM 34 N LIG 1 -0.771 6.031 -2.384 0.00 0.00 -0.221 NA ATOM 35 C LIG 1 -1.449 6.878 -3.185 0.00 0.00 +0.114 A ATOM 36 C LIG 1 -2.114 8.002 -2.725 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -2.092 8.272 -1.359 0.00 0.00 +0.007 A ATOM 38 C LIG 1 -1.406 7.413 -0.505 0.00 0.00 +0.067 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 12