REMARK Name = BDB024235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.186 -0.577 1.927 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.107 -1.954 2.577 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.552 -3.063 1.917 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.494 -4.309 2.545 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.000 -4.467 3.833 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.573 -3.383 4.492 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.631 -2.136 3.868 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.759 -0.419 1.609 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.760 -0.810 2.541 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.987 -0.217 0.994 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.168 0.246 -0.130 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.053 0.248 -0.037 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.851 0.499 -0.706 0.00 0.00 +0.136 A ATOM 14 N LIG 1 0.601 0.297 -0.212 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 0.493 -0.184 1.030 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.615 -0.476 1.795 0.00 0.00 +0.045 A ATOM 17 C LIG 1 2.888 -0.258 1.254 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 8.234 0.234 -1.610 0.00 0.00 +0.011 C ATOM 19 C LIG 1 6.962 1.081 -1.797 0.00 0.00 -0.032 C ATOM 20 C LIG 1 5.873 0.211 -2.467 0.00 0.00 +0.025 C ATOM 21 C LIG 1 4.460 0.618 -2.046 0.00 0.00 +0.105 C ATOM 22 N LIG 1 4.303 0.466 -0.596 0.00 0.00 -0.329 N ATOM 23 C LIG 1 5.484 0.667 0.251 0.00 0.00 +0.105 C ATOM 24 C LIG 1 6.474 1.613 -0.429 0.00 0.00 +0.025 C ATOM 25 C LIG 1 7.312 2.277 -2.701 0.00 0.00 +0.011 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -4.496 -0.296 1.287 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -4.394 0.611 0.819 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.880 -1.273 0.257 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -6.133 -0.822 -0.519 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -6.019 0.484 -1.278 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.904 0.780 -2.074 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.827 1.987 -2.775 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.873 2.909 -2.703 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.997 2.617 -1.927 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.070 1.412 -1.222 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.796 4.146 -3.423 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.742 5.149 -4.006 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9