REMARK Name = BDB024114 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.676 -1.280 0.578 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.220 -2.696 0.691 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.323 -3.530 -0.435 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.827 -4.826 -0.320 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.235 -5.308 0.921 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.136 -4.496 2.049 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.630 -3.199 1.937 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.870 -1.242 0.349 0.00 0.00 +0.239 C ATOM 9 N LIG 1 1.391 0.018 0.652 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.742 0.699 1.024 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 1.522 -2.198 -0.058 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.728 0.448 0.533 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.020 1.750 0.945 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.325 2.254 0.856 0.00 0.00 +0.012 A ATOM 15 C LIG 1 5.383 1.476 0.354 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.067 0.173 -0.065 0.00 0.00 +0.012 A ATOM 17 C LIG 1 3.761 -0.335 0.024 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 6.752 2.025 0.270 0.00 0.00 +0.093 A ATOM 19 N LIG 1 6.851 3.371 0.147 0.00 0.00 -0.149 NA ATOM 20 N LIG 1 8.076 3.984 0.063 0.00 0.00 -0.157 NA ATOM 21 C LIG 1 9.191 3.236 0.108 0.00 0.00 +0.135 A ATOM 22 C LIG 1 9.150 1.864 0.240 0.00 0.00 +0.024 A ATOM 23 C LIG 1 7.905 1.247 0.324 0.00 0.00 +0.032 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.328 -0.504 -0.508 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -0.770 0.318 -0.733 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.696 -0.109 -0.163 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.352 0.622 -1.343 0.00 0.00 +0.050 C BRANCH 27 31 ATOM 28 C LIG 1 -7.383 1.841 -0.381 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -6.330 2.754 -0.275 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -5.026 2.363 -0.590 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.762 1.055 -1.017 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -5.822 0.143 -1.118 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.125 0.533 -0.803 0.00 0.00 +0.019 A BRANCH 28 35 ATOM 34 N LIG 1 -9.801 2.570 0.211 0.00 0.00 -0.191 NA ATOM 35 C LIG 1 -8.720 2.243 -0.056 0.00 0.00 +0.099 C ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9