REMARK Name = BDB063518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.325 0.911 0.659 0.00 0.00 -0.022 C ATOM 2 C LIG 1 -2.903 1.901 -0.332 0.00 0.00 +0.005 C ATOM 3 C LIG 1 -1.643 2.236 -0.670 0.00 0.00 +0.018 C ATOM 4 C LIG 1 -0.373 1.660 -0.097 0.00 0.00 +0.209 C ATOM 5 C LIG 1 0.591 0.914 -1.126 0.00 0.00 +0.055 C ATOM 6 C LIG 1 1.038 -0.467 -0.460 0.00 0.00 +0.084 C ATOM 7 C LIG 1 2.272 -0.986 -1.206 0.00 0.00 +0.136 C ATOM 8 O LIG 1 2.488 -2.403 -1.202 0.00 0.00 -0.364 OA ATOM 9 C LIG 1 3.526 -0.134 -1.006 0.00 0.00 +0.214 C ATOM 10 C LIG 1 3.151 1.330 -0.699 0.00 0.00 +0.093 C ATOM 11 C LIG 1 2.204 -1.829 -2.474 0.00 0.00 +0.200 C ATOM 12 C LIG 1 0.052 -1.470 0.273 0.00 0.00 +0.219 C ATOM 13 C LIG 1 -1.276 -2.091 -0.269 0.00 0.00 +0.156 C ATOM 14 C LIG 1 -2.427 -1.123 -0.597 0.00 0.00 +0.236 C ATOM 15 O LIG 1 -3.374 -1.934 -1.301 0.00 0.00 -0.454 OA ATOM 16 C LIG 1 -2.676 -2.911 -1.961 0.00 0.00 +0.314 C ATOM 17 O LIG 1 -3.175 -3.651 -2.794 0.00 0.00 -0.250 OA ATOM 18 C LIG 1 -1.210 -2.873 -1.575 0.00 0.00 +0.134 C ATOM 19 C LIG 1 -0.623 -4.274 -1.496 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -0.052 0.680 -2.525 0.00 0.00 +0.019 C ATOM 21 C LIG 1 1.917 1.741 -1.511 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -3.110 -0.419 0.536 0.00 0.00 +0.026 C ENDROOT BRANCH 13 23 ATOM 23 O LIG 1 -1.782 -3.026 0.730 0.00 0.00 -0.380 OA ATOM 24 H LIG 1 -1.658 -2.637 1.623 0.00 0.00 +0.211 HD ENDBRANCH 13 23 BRANCH 1 25 ATOM 25 C LIG 1 -4.098 1.525 1.821 0.00 0.00 +0.194 C BRANCH 25 26 ATOM 26 O LIG 1 -4.700 0.544 2.666 0.00 0.00 -0.375 OA BRANCH 26 28 ATOM 27 C LIG 1 -7.041 1.139 2.868 0.00 0.00 +0.034 C ATOM 28 C LIG 1 -6.023 0.180 2.274 0.00 0.00 +0.157 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 1 25 BRANCH 4 29 ATOM 29 O LIG 1 0.253 2.759 0.596 0.00 0.00 -0.457 OA BRANCH 29 30 ATOM 30 C LIG 1 0.818 2.500 1.803 0.00 0.00 +0.305 C ATOM 31 O LIG 1 0.901 1.399 2.325 0.00 0.00 -0.251 OA ATOM 32 C LIG 1 1.359 3.764 2.396 0.00 0.00 +0.136 C ENDBRANCH 29 30 ENDBRANCH 4 29 BRANCH 9 33 ATOM 33 O LIG 1 4.274 -0.632 0.115 0.00 0.00 -0.458 OA BRANCH 33 34 ATOM 34 C LIG 1 5.314 -1.457 -0.187 0.00 0.00 +0.304 C ATOM 35 O LIG 1 5.704 -1.737 -1.311 0.00 0.00 -0.251 OA ATOM 36 C LIG 1 5.937 -1.970 1.075 0.00 0.00 +0.136 C ENDBRANCH 33 34 ENDBRANCH 9 33 BRANCH 12 37 ATOM 37 O LIG 1 0.896 -2.547 0.797 0.00 0.00 -0.458 OA BRANCH 37 38 ATOM 38 C LIG 1 0.732 -2.940 2.086 0.00 0.00 +0.304 C ATOM 39 O LIG 1 -0.138 -2.523 2.839 0.00 0.00 -0.251 OA ATOM 40 C LIG 1 1.743 -3.984 2.442 0.00 0.00 +0.136 C ENDBRANCH 37 38 ENDBRANCH 12 37 BRANCH 21 41 ATOM 41 O LIG 1 1.687 3.159 -1.445 0.00 0.00 -0.461 OA BRANCH 41 42 ATOM 42 C LIG 1 2.459 3.950 -2.241 0.00 0.00 +0.304 C ATOM 43 O LIG 1 3.323 3.553 -3.008 0.00 0.00 -0.251 OA ATOM 44 C LIG 1 2.095 5.388 -2.038 0.00 0.00 +0.136 C ENDBRANCH 41 42 ENDBRANCH 21 41 TORSDOF 12