REMARK Name = BDB024282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.865 -1.601 -1.294 0.00 0.00 +0.175 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 0.671 -3.855 -0.826 0.00 0.00 +0.125 A ATOM 3 C LIG 1 1.419 -3.014 -1.680 0.00 0.00 +0.020 A ATOM 4 C LIG 1 1.750 -3.481 -2.968 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.364 -4.750 -3.395 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.637 -5.573 -2.544 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.291 -5.129 -1.266 0.00 0.00 +0.046 A BRANCH 2 9 ATOM 8 C LIG 1 -0.418 -4.161 1.282 0.00 0.00 +0.277 C ATOM 9 O LIG 1 0.354 -3.342 0.409 0.00 0.00 -0.495 OA ENDBRANCH 2 9 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C LIG 1 0.703 -0.575 -1.388 0.00 0.00 +0.240 C ATOM 11 N LIG 1 -0.298 -0.765 -0.464 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.237 -1.579 0.137 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 0.743 0.340 -2.211 0.00 0.00 -0.273 OA BRANCH 11 14 ATOM 14 C LIG 1 -1.455 -0.023 -0.253 0.00 0.00 +0.125 A ATOM 15 N LIG 1 -2.236 -0.516 0.732 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 -3.387 0.149 1.009 0.00 0.00 +0.121 A ATOM 17 C LIG 1 -3.816 1.296 0.351 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -2.984 1.781 -0.658 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -1.793 1.117 -0.965 0.00 0.00 +0.044 A BRANCH 17 20 ATOM 20 C LIG 1 -5.055 1.970 0.691 0.00 0.00 +0.021 A ATOM 21 C LIG 1 -6.154 1.377 1.281 0.00 0.00 +0.116 A ATOM 22 N LIG 1 -7.098 2.357 1.409 0.00 0.00 -0.274 N ATOM 23 C LIG 1 -8.421 2.223 1.969 0.00 0.00 +0.172 C ATOM 24 N LIG 1 -6.695 3.551 0.944 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 -5.456 3.314 0.505 0.00 0.00 +0.143 A ENDBRANCH 17 20 ENDBRANCH 11 14 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 2.555 -1.573 0.021 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 1.921 -1.969 0.717 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 2.997 -0.245 0.459 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.078 0.388 -0.431 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.526 1.725 0.112 0.00 0.00 -0.046 A ATOM 31 C LIG 1 3.831 2.893 -0.230 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.230 4.130 0.284 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.326 4.209 1.147 0.00 0.00 +0.052 A ATOM 34 C LIG 1 6.020 3.046 1.496 0.00 0.00 +0.019 A ATOM 35 C LIG 1 5.620 1.810 0.982 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 5.736 5.476 1.676 0.00 0.00 +0.099 C ATOM 37 N LIG 1 6.069 6.502 2.106 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10