REMARK Name = BDB016723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.131 -2.509 -1.671 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.717 -3.473 -0.734 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.510 -3.275 -0.051 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.684 -2.180 -0.267 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.427 -2.369 0.618 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.273 -3.488 1.347 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.088 -1.216 -1.208 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.880 -4.013 0.910 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.193 -4.886 1.319 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.296 -1.401 -1.898 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.345 1.014 0.462 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.139 -0.247 -0.116 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.612 -0.498 -1.396 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.577 -1.701 -2.295 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.420 -2.669 -2.443 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.341 -1.262 -3.523 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.721 0.052 -3.318 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.252 0.577 -3.995 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.566 -1.956 -4.500 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.699 -3.095 -1.750 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.305 0.518 -2.069 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.529 1.768 -1.533 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.037 2.014 -0.247 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.953 2.416 2.346 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.830 1.144 1.724 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.605 -1.519 0.792 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.256 -0.952 -0.309 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -3.380 -0.138 -0.131 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -3.879 0.126 1.153 0.00 0.00 -0.044 A ATOM 30 C LIG 1 -3.235 -0.460 2.252 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.113 -1.275 2.073 0.00 0.00 +0.010 A BRANCH 29 32 ATOM 32 C LIG 1 -5.101 0.999 1.374 0.00 0.00 +0.021 C ATOM 33 C LIG 1 -6.396 0.299 0.913 0.00 0.00 +0.023 C ATOM 34 C LIG 1 -7.473 1.287 0.447 0.00 0.00 +0.084 C ATOM 35 N LIG 1 -7.436 2.500 1.261 0.00 0.00 -0.305 NA ATOM 36 C LIG 1 -8.606 3.343 1.032 0.00 0.00 +0.104 C ATOM 37 C LIG 1 -6.191 3.259 1.065 0.00 0.00 +0.084 C ATOM 38 C LIG 1 -4.978 2.382 0.724 0.00 0.00 +0.023 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4