REMARK Name = BDB051167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.691 -1.750 0.237 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.022 -1.895 1.754 0.00 0.00 -0.014 C ATOM 3 C LIG 1 -0.483 -0.804 2.676 0.00 0.00 +0.007 C ATOM 4 C LIG 1 -0.641 -3.275 2.299 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.716 -2.229 -0.226 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 1.982 -1.577 0.370 0.00 0.00 +0.080 C BRANCH 6 7 ATOM 7 N LIG 1 2.009 -0.146 0.089 0.00 0.00 -0.325 NA ATOM 8 H LIG 1 1.638 0.379 0.878 0.00 0.00 +0.119 HD ATOM 9 H LIG 1 2.967 0.206 -0.036 0.00 0.00 +0.119 HD ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 3.290 -2.325 -0.053 0.00 0.00 +0.132 C BRANCH 10 11 ATOM 11 O LIG 1 3.274 -3.640 0.535 0.00 0.00 -0.390 OA ATOM 12 H LIG 1 3.163 -3.521 1.488 0.00 0.00 +0.210 HD ENDBRANCH 10 11 BRANCH 10 13 ATOM 13 C LIG 1 3.570 -2.544 -1.555 0.00 0.00 +0.045 C BRANCH 13 14 ATOM 14 C LIG 1 4.045 -1.354 -2.411 0.00 0.00 +0.074 C ATOM 15 C LIG 1 2.912 -0.599 -3.094 0.00 0.00 +0.017 C BRANCH 14 16 ATOM 16 C LIG 1 4.974 -0.438 -1.627 0.00 0.00 +0.216 C ATOM 17 N LIG 1 6.239 -0.961 -1.454 0.00 0.00 -0.315 N ATOM 18 H LIG 1 6.500 -1.798 -1.956 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 4.610 0.620 -1.126 0.00 0.00 -0.276 OA BRANCH 17 20 ATOM 20 C LIG 1 7.265 -0.247 -0.722 0.00 0.00 +0.104 C BRANCH 20 21 ATOM 21 C LIG 1 7.889 0.874 -1.548 0.00 0.00 +0.018 C BRANCH 21 22 ATOM 22 C LIG 1 9.140 1.476 -0.900 0.00 0.00 -0.002 C ATOM 23 C LIG 1 8.871 2.167 0.429 0.00 0.00 +0.004 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 -1.069 -0.374 -0.370 0.00 0.00 +0.039 C BRANCH 24 29 ATOM 25 C LIG 1 -4.435 1.193 0.565 0.00 0.00 +0.125 A ATOM 26 C LIG 1 -5.371 0.403 -0.134 0.00 0.00 -0.000 A ATOM 27 C LIG 1 -4.837 -0.591 -0.984 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -3.459 -0.823 -1.086 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -2.554 -0.080 -0.330 0.00 0.00 -0.044 A ATOM 30 C LIG 1 -3.056 0.935 0.483 0.00 0.00 +0.049 A BRANCH 26 31 ATOM 31 C LIG 1 -6.898 0.593 0.001 0.00 0.00 -0.009 C ATOM 32 C LIG 1 -7.725 -0.440 -0.810 0.00 0.00 +0.015 C ATOM 33 C LIG 1 -7.340 0.430 1.472 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -7.317 1.986 -0.518 0.00 0.00 +0.015 C ENDBRANCH 26 31 BRANCH 25 35 ATOM 35 O LIG 1 -4.878 2.172 1.410 0.00 0.00 -0.488 OA BRANCH 35 36 ATOM 36 C LIG 1 -4.346 3.464 1.104 0.00 0.00 +0.256 C BRANCH 36 38 ATOM 37 C LIG 1 -5.654 5.543 1.696 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -4.990 4.436 2.054 0.00 0.00 +0.006 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 18