REMARK Name = BDB013510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.587 1.586 0.032 0.00 0.00 -0.043 A ATOM 2 C LIG 1 0.258 1.913 0.340 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.772 1.784 -0.612 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.455 1.340 -1.913 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -1.508 1.177 -2.977 0.00 0.00 +0.044 C ATOM 6 C LIG 1 0.875 1.020 -2.220 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.883 1.144 -1.262 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.703 1.702 1.061 0.00 0.00 +0.030 C BRANCH 8 9 ATOM 9 C LIG 1 2.426 0.856 2.330 0.00 0.00 +0.015 C BRANCH 9 10 ATOM 10 C LIG 1 2.212 -0.642 2.073 0.00 0.00 +0.059 C BRANCH 10 14 ATOM 11 N LIG 1 4.761 -2.355 0.159 0.00 0.00 -0.252 N ATOM 12 N LIG 1 5.452 -1.955 1.239 0.00 0.00 -0.065 NA ATOM 13 N LIG 1 4.608 -1.311 2.034 0.00 0.00 -0.135 NA ATOM 14 C LIG 1 3.375 -1.308 1.436 0.00 0.00 +0.083 A ATOM 15 C LIG 1 3.455 -1.981 0.236 0.00 0.00 +0.133 A BRANCH 11 17 ATOM 16 C LIG 1 6.099 -2.164 -1.895 0.00 0.00 +0.029 C ATOM 17 C LIG 1 5.417 -3.086 -0.900 0.00 0.00 +0.142 C ENDBRANCH 11 17 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 8 9 BRANCH 8 18 ATOM 18 C LIG 1 2.932 3.181 1.411 0.00 0.00 +0.128 C BRANCH 18 19 ATOM 19 C LIG 1 4.203 3.380 2.184 0.00 0.00 +0.305 C ATOM 20 O LIG 1 4.285 3.661 3.368 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 5.306 3.213 1.432 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 6.049 3.329 2.062 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -2.197 2.122 -0.204 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 N LIG 1 -3.086 0.923 -0.196 0.00 0.00 -0.167 NA ATOM 25 S LIG 1 -4.742 1.347 -0.420 0.00 0.00 +0.082 S ATOM 26 O LIG 1 -4.775 2.257 -1.551 0.00 0.00 -0.151 OA ATOM 27 O LIG 1 -5.258 1.765 0.869 0.00 0.00 -0.151 OA ATOM 28 C LIG 1 -5.548 -0.169 -0.901 0.00 0.00 +0.236 A ATOM 29 C LIG 1 -5.480 -1.305 -0.115 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -6.248 -2.402 -0.498 0.00 0.00 +0.051 A ATOM 31 C LIG 1 -7.013 -2.337 -1.661 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -6.993 -1.165 -2.400 0.00 0.00 +0.113 A ATOM 33 O LIG 1 -4.754 -1.425 1.029 0.00 0.00 -0.484 OA ATOM 34 C LIG 1 -3.342 -1.378 0.763 0.00 0.00 +0.186 C ATOM 35 C LIG 1 -2.691 -2.345 1.749 0.00 0.00 +0.053 C ATOM 36 N LIG 1 -6.282 -0.075 -2.049 0.00 0.00 -0.233 NA ATOM 37 C LIG 1 -2.814 0.042 0.986 0.00 0.00 +0.154 C ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10