REMARK Name = BDB009138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.728 -1.707 -1.068 0.00 0.00 -0.043 A ATOM 2 C LIG 1 0.018 -0.521 -0.800 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -1.127 -0.158 -1.536 0.00 0.00 +0.018 A ATOM 4 C LIG 1 -1.542 -1.031 -2.552 0.00 0.00 +0.131 A ATOM 5 F LIG 1 -2.623 -0.742 -3.294 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -0.856 -2.209 -2.833 0.00 0.00 +0.039 A ATOM 7 C LIG 1 0.276 -2.548 -2.094 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.854 1.089 -1.234 0.00 0.00 -0.014 A ATOM 9 C LIG 1 -3.248 1.094 -1.054 0.00 0.00 +0.021 A ATOM 10 C LIG 1 -3.928 2.279 -0.745 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -3.234 3.487 -0.654 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -1.854 3.503 -0.834 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -1.172 2.315 -1.115 0.00 0.00 +0.008 A BRANCH 10 14 ATOM 14 C LIG 1 -5.399 2.290 -0.570 0.00 0.00 +0.247 C ATOM 15 N LIG 1 -5.984 1.380 0.302 0.00 0.00 -0.293 N ATOM 16 C LIG 1 -5.273 0.618 1.336 0.00 0.00 +0.136 C ATOM 17 C LIG 1 -6.146 0.438 2.583 0.00 0.00 +0.179 C ATOM 18 O LIG 1 -7.387 -0.229 2.318 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 -7.920 0.025 1.010 0.00 0.00 +0.179 C ATOM 20 C LIG 1 -7.443 1.342 0.391 0.00 0.00 +0.136 C ATOM 21 O LIG 1 -6.048 3.117 -1.207 0.00 0.00 -0.270 OA ENDBRANCH 10 14 ENDBRANCH 3 8 BRANCH 1 23 ATOM 22 C LIG 1 1.732 -3.327 0.568 0.00 0.00 +0.013 C ATOM 23 C LIG 1 1.963 -2.049 -0.246 0.00 0.00 +0.022 C BRANCH 23 24 ATOM 24 C LIG 1 3.206 -2.154 -1.149 0.00 0.00 +0.065 C BRANCH 24 25 ATOM 25 C LIG 1 4.492 -2.007 -0.346 0.00 0.00 +0.066 A ATOM 26 C LIG 1 5.021 -0.642 -0.036 0.00 0.00 -0.016 A ATOM 27 C LIG 1 4.362 0.591 -0.592 0.00 0.00 +0.037 C ATOM 28 C LIG 1 5.196 1.864 -0.409 0.00 0.00 +0.005 C ATOM 29 C LIG 1 5.828 1.919 0.975 0.00 0.00 +0.005 C ATOM 30 C LIG 1 6.730 0.706 1.211 0.00 0.00 +0.041 C ATOM 31 C LIG 1 6.105 -0.584 0.757 0.00 0.00 +0.023 A ATOM 32 C LIG 1 6.751 -1.834 1.230 0.00 0.00 +0.268 A ATOM 33 O LIG 1 7.749 -1.817 1.942 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.169 -3.002 0.815 0.00 0.00 -0.243 N ATOM 35 H LIG 1 6.593 -3.868 1.129 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 5.047 -3.110 0.057 0.00 0.00 -0.176 NA ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 5