REMARK Name = BDB001151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.317 0.484 0.226 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.466 1.352 -0.424 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.901 0.945 -0.751 0.00 0.00 +0.099 C ATOM 4 C LIG 1 1.462 2.080 -1.625 0.00 0.00 +0.013 C ATOM 5 C LIG 1 2.348 2.933 -0.709 0.00 0.00 +0.007 C ATOM 6 C LIG 1 2.199 2.354 0.694 0.00 0.00 +0.024 C ATOM 7 C LIG 1 0.221 2.791 -2.153 0.00 0.00 +0.024 C ATOM 8 C LIG 1 1.835 0.881 0.476 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -0.816 2.615 -1.055 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -0.962 -0.673 0.488 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 3.011 0.051 0.214 0.00 0.00 -0.307 N ATOM 12 H LIG 1 2.905 -0.674 -0.484 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 3.917 -0.221 1.223 0.00 0.00 +0.244 C ATOM 14 O LIG 1 3.874 0.290 2.336 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 4.963 -1.234 0.907 0.00 0.00 +0.037 A ATOM 16 C LIG 1 5.425 -1.417 -0.411 0.00 0.00 +0.024 A ATOM 17 C LIG 1 6.417 -2.386 -0.648 0.00 0.00 +0.021 A ATOM 18 C LIG 1 6.909 -3.116 0.428 0.00 0.00 +0.135 A ATOM 19 O LIG 1 7.856 -3.999 0.007 0.00 0.00 -0.463 OA ATOM 20 C LIG 1 7.980 -3.836 -1.336 0.00 0.00 +0.196 A ATOM 21 C LIG 1 6.487 -2.952 1.745 0.00 0.00 +0.047 A ATOM 22 C LIG 1 7.123 -2.858 -1.787 0.00 0.00 +0.049 A ATOM 23 C LIG 1 5.500 -1.984 1.965 0.00 0.00 +0.016 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 24 ATOM 24 C LIG 1 -2.720 0.986 0.658 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 -4.198 -0.246 -0.886 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -3.628 -0.128 0.367 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -3.400 -0.999 0.832 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -4.115 0.633 -1.744 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -4.901 -1.600 -1.137 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -3.882 -2.540 -1.781 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -6.820 -2.556 -2.332 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -6.107 -1.352 -1.947 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -5.839 -0.812 -2.773 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 -2.785 1.422 2.156 0.00 0.00 -0.011 C ATOM 35 C LIG 1 -1.858 2.626 2.406 0.00 0.00 +0.013 C ATOM 36 C LIG 1 -4.227 1.864 2.493 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -2.388 0.295 3.129 0.00 0.00 +0.013 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7