REMARK Name = BDB057756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.448 2.140 -0.661 0.00 0.00 +0.162 C ATOM 2 N LIG 1 -0.745 2.948 -0.391 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -2.062 2.550 -0.458 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -2.961 3.246 0.027 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -0.379 4.259 0.101 0.00 0.00 +0.109 C ATOM 6 C LIG 1 0.975 4.503 -0.539 0.00 0.00 +0.021 C ATOM 7 C LIG 1 1.623 3.123 -0.525 0.00 0.00 +0.033 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.465 0.004 -0.032 0.00 0.00 -0.304 N ATOM 9 H LIG 1 2.141 0.217 -0.754 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.626 1.015 0.381 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.098 1.035 1.491 0.00 0.00 -0.274 OA BRANCH 8 13 ATOM 12 C LIG 1 3.084 -0.463 1.781 0.00 0.00 +0.144 C ATOM 13 C LIG 1 1.907 -1.020 0.910 0.00 0.00 +0.132 C ATOM 14 C LIG 1 2.230 -2.339 0.229 0.00 0.00 -0.022 A ATOM 15 C LIG 1 2.991 -3.287 0.939 0.00 0.00 -0.042 A ATOM 16 C LIG 1 3.246 -4.547 0.385 0.00 0.00 +0.004 A ATOM 17 C LIG 1 2.744 -4.872 -0.874 0.00 0.00 +0.000 A ATOM 18 C LIG 1 1.966 -3.951 -1.572 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.473 -2.937 2.321 0.00 0.00 +0.038 C ATOM 20 C LIG 1 1.699 -2.698 -1.019 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.057 -1.532 2.308 0.00 0.00 +0.038 C BRANCH 12 22 ATOM 22 O LIG 1 3.836 0.500 1.000 0.00 0.00 -0.362 OA BRANCH 22 23 ATOM 23 C LIG 1 4.577 1.415 1.805 0.00 0.00 +0.248 C BRANCH 23 25 ATOM 24 C LIG 1 5.767 3.188 0.206 0.00 0.00 +0.006 C ATOM 25 C LIG 1 5.232 2.390 0.926 0.00 0.00 -0.077 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 12 22 ENDBRANCH 8 13 ENDBRANCH 1 10 BRANCH 3 26 ATOM 26 C LIG 1 -2.389 1.177 -1.100 0.00 0.00 +0.164 C BRANCH 26 27 ATOM 27 C LIG 1 -3.357 1.274 -2.324 0.00 0.00 -0.011 C ATOM 28 C LIG 1 -4.772 1.752 -1.947 0.00 0.00 +0.013 C ATOM 29 C LIG 1 -3.488 -0.117 -2.985 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -2.770 2.238 -3.375 0.00 0.00 +0.013 C ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 N LIG 1 -2.922 0.344 -0.024 0.00 0.00 -0.302 N ATOM 32 H LIG 1 -3.482 0.814 0.680 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 -2.431 -0.917 0.232 0.00 0.00 +0.230 C ATOM 34 O LIG 1 -1.611 -1.472 -0.499 0.00 0.00 -0.274 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.005 -1.577 1.505 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -2.294 -1.016 2.732 0.00 0.00 +0.034 C BRANCH 35 37 ATOM 37 N LIG 1 -2.811 -3.044 1.470 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 -1.862 -3.210 1.118 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 -3.750 -3.687 0.558 0.00 0.00 +0.101 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 26 31 ENDBRANCH 3 26 TORSDOF 10