REMARK Name = BDB013902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.002 1.810 1.055 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -0.241 0.987 1.459 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -1.077 1.492 2.217 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.406 -0.310 0.948 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.406 -0.861 -0.093 0.00 0.00 +0.040 A ATOM 6 C LIG 1 0.799 -0.081 -1.202 0.00 0.00 -0.026 A ATOM 7 C LIG 1 1.627 -0.639 -2.190 0.00 0.00 +0.005 A ATOM 8 C LIG 1 2.054 -1.961 -2.096 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.655 -2.741 -1.018 0.00 0.00 +0.002 A ATOM 10 C LIG 1 0.312 1.333 -1.375 0.00 0.00 +0.039 C ATOM 11 C LIG 1 0.836 -2.195 -0.027 0.00 0.00 +0.024 A ATOM 12 C LIG 1 0.956 2.301 -0.391 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.191 1.488 2.244 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.237 1.080 1.339 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.515 0.297 0.752 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.084 2.488 2.945 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.386 0.508 2.328 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.580 1.116 3.058 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 5.293 0.924 0.072 0.00 0.00 +0.101 C ATOM 20 N LIG 1 4.715 -0.053 0.991 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 5.391 -0.808 1.120 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.415 -1.151 1.608 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -2.355 -1.924 0.691 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -3.245 -1.289 -0.224 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -4.088 -2.097 -1.028 0.00 0.00 -0.018 A ATOM 26 C LIG 1 -4.968 -1.504 -1.946 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -5.030 -0.117 -2.094 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -4.216 0.705 -1.315 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -4.049 -3.493 -0.906 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -3.196 -4.106 0.005 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.348 0.113 -0.385 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -2.362 -3.329 0.800 0.00 0.00 +0.006 A BRANCH 28 33 ATOM 33 C LIG 1 -4.227 2.154 -1.467 0.00 0.00 +0.179 A ATOM 34 N LIG 1 -5.338 2.908 -1.726 0.00 0.00 -0.239 N ATOM 35 H LIG 1 -6.302 2.625 -1.824 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -5.011 4.202 -1.833 0.00 0.00 -0.046 NA ATOM 37 N LIG 1 -3.706 4.243 -1.617 0.00 0.00 -0.023 NA ATOM 38 N LIG 1 -3.207 2.986 -1.374 0.00 0.00 -0.108 NA ENDBRANCH 28 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 6