REMARK Name = BDB048434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.233 -1.010 1.470 0.00 0.00 +0.120 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.776 0.874 -1.029 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.156 0.064 0.040 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.184 -0.546 0.843 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -0.182 -0.350 0.598 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -0.554 0.450 -0.489 0.00 0.00 +0.008 A ATOM 7 C LIG 1 0.417 1.057 -1.290 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 2.612 1.522 -1.895 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 4.021 1.449 -1.667 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 4.618 0.212 -2.336 0.00 0.00 +0.100 C BRANCH 10 13 ATOM 11 C LIG 1 7.187 0.597 -4.476 0.00 0.00 +0.088 C ATOM 12 C LIG 1 7.111 0.289 -3.038 0.00 0.00 +0.126 A ATOM 13 C LIG 1 6.084 0.124 -2.133 0.00 0.00 +0.086 A ATOM 14 N LIG 1 6.608 -0.160 -0.892 0.00 0.00 -0.214 NA ATOM 15 C LIG 1 7.915 -0.163 -1.081 0.00 0.00 +0.228 A ATOM 16 O LIG 1 8.289 0.106 -2.372 0.00 0.00 -0.440 OA BRANCH 15 17 ATOM 17 C LIG 1 8.986 -0.407 -0.119 0.00 0.00 +0.037 A ATOM 18 C LIG 1 8.667 -0.683 1.220 0.00 0.00 +0.013 A ATOM 19 C LIG 1 9.670 -0.920 2.163 0.00 0.00 +0.001 A ATOM 20 C LIG 1 11.009 -0.882 1.779 0.00 0.00 +0.000 A ATOM 21 C LIG 1 11.345 -0.609 0.455 0.00 0.00 +0.001 A ATOM 22 C LIG 1 10.340 -0.373 -0.488 0.00 0.00 +0.013 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 N LIG 1 -1.688 -0.264 2.661 0.00 0.00 -0.284 NA BRANCH 23 24 ATOM 24 C LIG 1 -2.424 0.971 2.347 0.00 0.00 +0.120 C BRANCH 24 25 ATOM 25 C LIG 1 -3.748 0.748 1.644 0.00 0.00 -0.033 A ATOM 26 C LIG 1 -4.642 -0.242 2.079 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -5.877 -0.425 1.445 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -6.241 0.389 0.374 0.00 0.00 +0.121 A ATOM 29 C LIG 1 -5.364 1.389 -0.050 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -4.131 1.574 0.581 0.00 0.00 +0.008 A BRANCH 28 31 ATOM 31 O LIG 1 -7.410 0.319 -0.332 0.00 0.00 -0.487 OA BRANCH 31 32 ATOM 32 C LIG 1 -8.329 -0.707 0.035 0.00 0.00 +0.264 C BRANCH 32 33 ATOM 33 C LIG 1 -9.515 -0.633 -0.895 0.00 0.00 -0.010 A ATOM 34 C LIG 1 -10.734 -0.092 -0.463 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -11.826 -0.025 -1.331 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -11.708 -0.491 -2.639 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -10.498 -1.021 -3.083 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.406 -1.089 -2.217 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 39 ATOM 39 C LIG 1 -0.618 0.017 3.641 0.00 0.00 +0.206 C BRANCH 39 40 ATOM 40 C LIG 1 -0.013 -1.245 4.245 0.00 0.00 +0.319 C ATOM 41 O LIG 1 -0.452 -2.383 4.234 0.00 0.00 -0.250 OA BRANCH 40 42 ATOM 42 O LIG 1 1.147 -0.985 4.889 0.00 0.00 -0.480 OA ATOM 43 H LIG 1 1.408 -1.859 5.250 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 23 39 ENDBRANCH 1 23 TORSDOF 15