REMARK Name = BDB024292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.728 0.535 0.856 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.331 -0.926 0.673 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.116 -1.416 -0.627 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.226 -2.752 -0.843 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.350 -3.621 0.238 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.127 -3.157 1.533 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.216 -1.820 1.750 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.394 1.142 2.252 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.886 1.389 2.658 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.925 1.737 3.606 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.284 1.444 3.061 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.091 1.262 1.971 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.112 0.919 0.676 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.320 0.799 0.068 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.542 1.025 0.689 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.494 1.405 2.030 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.261 1.525 2.677 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.806 0.885 -0.008 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.025 0.096 -1.120 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.343 0.242 -1.444 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.046 -0.389 -2.535 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.007 1.072 -0.621 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.073 1.460 0.251 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.162 0.789 0.506 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.378 1.736 0.820 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.120 -0.135 1.130 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.553 -0.662 1.565 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.585 0.297 0.861 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.951 0.403 -0.615 0.00 0.00 -0.041 A ATOM 30 C LIG 1 -4.633 -0.611 -1.532 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -4.985 -0.482 -2.874 0.00 0.00 +0.141 A ATOM 32 F LIG 1 -4.660 -1.471 -3.721 0.00 0.00 -0.204 F ATOM 33 C LIG 1 -5.662 0.643 -3.332 0.00 0.00 +0.087 A ATOM 34 C LIG 1 -5.994 1.656 -2.428 0.00 0.00 +0.022 A ATOM 35 C LIG 1 -5.642 1.534 -1.079 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.015 0.762 -4.712 0.00 0.00 +0.102 C ATOM 37 N LIG 1 -6.319 0.889 -5.826 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9