REMARK Name = BDB060594 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.916 -0.382 1.618 0.00 0.00 +0.253 C ATOM 2 C LIG 1 -2.179 -1.891 1.515 0.00 0.00 +0.195 C ATOM 3 C LIG 1 -0.966 -2.405 0.755 0.00 0.00 +0.177 C ATOM 4 C LIG 1 0.121 -1.402 1.144 0.00 0.00 +0.166 C ATOM 5 O LIG 1 -0.550 -0.131 1.233 0.00 0.00 -0.347 OA ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 -4.463 1.457 -2.084 0.00 0.00 +0.147 A ATOM 7 C LIG 1 -3.949 1.381 -0.779 0.00 0.00 +0.147 A ATOM 8 N LIG 1 -4.095 2.194 0.326 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 -3.369 1.619 1.262 0.00 0.00 +0.203 A ATOM 10 N LIG 1 -2.771 0.467 0.816 0.00 0.00 -0.286 N ATOM 11 C LIG 1 -3.121 0.306 -0.496 0.00 0.00 +0.167 A ATOM 12 N LIG 1 -2.758 -0.677 -1.336 0.00 0.00 -0.216 NA ATOM 13 C LIG 1 -3.298 -0.491 -2.558 0.00 0.00 +0.225 A ATOM 14 N LIG 1 -4.109 0.504 -2.975 0.00 0.00 -0.219 NA BRANCH 6 15 ATOM 15 N LIG 1 -5.307 2.475 -2.511 0.00 0.00 -0.341 N ATOM 16 H LIG 1 -5.256 3.307 -1.933 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 -5.280 2.597 -3.514 0.00 0.00 +0.144 HD ENDBRANCH 6 15 ENDBRANCH 1 10 BRANCH 2 18 ATOM 18 O LIG 1 -2.205 -2.488 2.826 0.00 0.00 -0.385 OA ATOM 19 H LIG 1 -2.422 -3.430 2.680 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 -0.652 -3.750 1.108 0.00 0.00 -0.386 OA ATOM 21 H LIG 1 -0.342 -3.742 2.033 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 4 22 ATOM 22 C LIG 1 1.263 -1.367 0.107 0.00 0.00 +0.118 C BRANCH 22 23 ATOM 23 N LIG 1 2.491 -0.684 0.568 0.00 0.00 -0.300 NA ATOM 24 C LIG 1 3.607 -0.869 -0.375 0.00 0.00 +0.086 C ATOM 25 C LIG 1 3.811 0.311 -1.322 0.00 0.00 +0.034 C ATOM 26 C LIG 1 4.078 1.616 -0.557 0.00 0.00 +0.053 C ATOM 27 C LIG 1 3.533 1.559 0.875 0.00 0.00 +0.034 C ATOM 28 C LIG 1 2.251 0.728 0.917 0.00 0.00 +0.086 C BRANCH 26 29 ATOM 29 N LIG 1 5.503 1.960 -0.523 0.00 0.00 -0.327 NA ATOM 30 H LIG 1 5.872 1.995 -1.472 0.00 0.00 +0.118 HD ATOM 31 H LIG 1 6.024 1.228 -0.042 0.00 0.00 +0.118 HD ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7