REMARK Name = BDB020711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.150 -0.530 -1.873 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.880 0.429 -1.443 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -0.513 1.887 -1.567 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -2.083 -0.052 -1.010 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -2.300 -1.458 -1.086 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.342 -2.362 -1.543 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -1.861 -3.638 -1.501 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -3.181 -3.534 -1.018 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -3.429 -2.200 -0.779 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -0.076 -1.855 -1.932 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -4.202 -4.690 -0.791 0.00 0.00 +0.040 A ATOM 12 S LIG 1 -5.797 -4.499 -0.203 0.00 0.00 -0.075 S ATOM 13 C LIG 1 -6.025 -6.194 -0.319 0.00 0.00 +0.156 A ATOM 14 N LIG 1 -5.001 -6.890 -0.763 0.00 0.00 -0.255 NA ATOM 15 C LIG 1 -3.955 -6.025 -1.035 0.00 0.00 +0.127 A ENDBRANCH 8 11 BRANCH 1 18 ATOM 16 N LIG 1 2.259 0.276 -1.106 0.00 0.00 -0.307 N ATOM 17 H LIG 1 1.742 0.451 -0.250 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 1.544 -0.123 -2.208 0.00 0.00 +0.245 C ATOM 19 O LIG 1 1.975 -0.158 -3.353 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 3.530 0.948 -1.246 0.00 0.00 +0.149 C BRANCH 20 22 ATOM 21 C LIG 1 5.551 0.373 0.146 0.00 0.00 +0.132 A ATOM 22 C LIG 1 4.307 0.872 0.030 0.00 0.00 +0.075 A ATOM 23 C LIG 1 3.673 1.439 1.258 0.00 0.00 +0.257 A ATOM 24 O LIG 1 2.538 1.908 1.245 0.00 0.00 -0.267 OA ATOM 25 N LIG 1 4.413 1.391 2.415 0.00 0.00 -0.326 N ATOM 26 H LIG 1 3.960 1.771 3.237 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 5.661 0.824 2.519 0.00 0.00 +0.019 A ATOM 28 C LIG 1 6.297 0.809 3.874 0.00 0.00 +0.063 C ATOM 29 C LIG 1 6.232 0.308 1.421 0.00 0.00 +0.067 A BRANCH 21 31 ATOM 30 C LIG 1 7.170 0.714 -1.480 0.00 0.00 +0.277 C ATOM 31 O LIG 1 6.228 -0.196 -0.912 0.00 0.00 -0.495 OA ENDBRANCH 21 31 ENDBRANCH 20 22 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 4 32 ATOM 32 C LIG 1 -3.223 0.818 -0.446 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -4.040 1.340 -1.645 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -2.761 1.881 0.486 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -2.024 1.299 1.643 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -2.015 2.231 2.864 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -3.331 2.457 3.386 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -4.346 2.425 2.375 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -3.819 2.790 0.978 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 7