REMARK Name = BDB028646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.192 -1.500 0.272 0.00 0.00 +0.135 A ATOM 2 C LIG 1 0.633 -0.362 0.870 0.00 0.00 +0.106 A ATOM 3 C LIG 1 1.431 0.428 1.672 0.00 0.00 +0.173 A ATOM 4 O LIG 1 0.700 1.477 2.137 0.00 0.00 -0.353 OA ATOM 5 N LIG 1 -0.600 1.384 1.655 0.00 0.00 -0.060 NA ATOM 6 C LIG 1 2.770 0.163 1.948 0.00 0.00 +0.055 A ATOM 7 C LIG 1 3.322 -0.997 1.367 0.00 0.00 -0.019 A ATOM 8 C LIG 1 -0.621 0.291 0.887 0.00 0.00 +0.192 A ATOM 9 C LIG 1 2.531 -1.820 0.543 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 0.818 -2.224 -1.886 0.00 0.00 +0.277 C ATOM 11 O LIG 1 0.413 -2.311 -0.516 0.00 0.00 -0.494 OA ENDBRANCH 1 11 BRANCH 8 12 ATOM 12 N LIG 1 -1.772 -0.184 0.246 0.00 0.00 -0.196 N ATOM 13 H LIG 1 -1.621 -1.139 -0.091 0.00 0.00 +0.175 HD BRANCH 12 14 ATOM 14 S LIG 1 -2.319 0.697 -1.092 0.00 0.00 +0.074 S ATOM 15 O LIG 1 -1.883 -0.063 -2.248 0.00 0.00 -0.150 OA ATOM 16 O LIG 1 -2.014 2.104 -0.973 0.00 0.00 -0.150 OA BRANCH 14 17 ATOM 17 C LIG 1 -4.088 0.500 -0.934 0.00 0.00 +0.114 A ATOM 18 C LIG 1 -4.833 1.224 0.021 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -6.226 1.024 0.046 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -6.852 0.136 -0.831 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.102 -0.570 -1.764 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.722 -0.386 -1.822 0.00 0.00 +0.029 A BRANCH 18 23 ATOM 23 C LIG 1 -4.192 2.217 0.965 0.00 0.00 +0.193 C BRANCH 23 24 ATOM 24 O LIG 1 -5.078 2.596 2.016 0.00 0.00 -0.390 OA ATOM 25 H LIG 1 -4.580 3.221 2.570 0.00 0.00 +0.210 HD ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 14 17 ENDBRANCH 12 14 ENDBRANCH 8 12 BRANCH 7 26 ATOM 26 C LIG 1 4.768 -1.354 1.636 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 N LIG 1 5.678 -0.419 0.991 0.00 0.00 -0.267 N ATOM 28 N LIG 1 6.259 0.564 1.711 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 7.014 1.206 0.817 0.00 0.00 +0.134 A ATOM 30 C LIG 1 6.933 0.633 -0.465 0.00 0.00 +0.041 A ATOM 31 C LIG 1 6.066 -0.424 -0.320 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 8