REMARK Name = BDB024256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.217 -2.168 0.664 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.278 -1.711 2.117 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.165 -0.357 2.472 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.229 0.035 3.810 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.415 -0.917 4.809 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.542 -2.263 4.472 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.479 -2.659 3.135 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.117 -1.502 0.359 0.00 0.00 -0.267 N ATOM 9 H LIG 1 1.221 -1.977 1.247 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.152 -1.414 -0.200 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.423 -0.848 -1.256 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 4.680 0.136 -1.079 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.663 -0.585 0.115 0.00 0.00 +0.052 A ATOM 14 C LIG 1 3.461 -1.119 0.570 0.00 0.00 +0.164 A ATOM 15 F LIG 1 3.443 -1.815 1.718 0.00 0.00 -0.202 F ATOM 16 C LIG 1 2.289 -0.935 -0.162 0.00 0.00 +0.161 A ATOM 17 N LIG 1 2.284 -0.244 -1.315 0.00 0.00 -0.237 NA ATOM 18 C LIG 1 3.463 0.271 -1.747 0.00 0.00 +0.121 A BRANCH 12 23 ATOM 19 C LIG 1 9.252 2.040 -1.474 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.925 1.557 -1.767 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.465 1.611 -3.028 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.235 1.101 -2.936 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.898 0.714 -1.617 0.00 0.00 +0.021 A ATOM 24 C LIG 1 7.026 1.028 -0.884 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.551 -2.252 0.026 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -3.125 -2.904 0.557 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.262 -0.974 -0.075 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.463 -1.121 -1.020 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.227 0.175 -1.159 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.777 1.167 -2.041 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.467 2.375 -2.162 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.615 2.604 -1.397 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -7.066 1.621 -0.511 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.374 0.413 -0.391 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.324 3.844 -1.518 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.901 4.847 -1.611 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9