REMARK Name = BDB035550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.070 -0.281 0.487 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.186 -0.320 1.105 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.503 -0.385 2.278 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.192 -0.276 0.036 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.570 -0.290 0.143 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.324 -0.249 -1.039 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.661 -0.178 -2.288 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.255 -0.163 -2.379 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.537 -0.215 -1.187 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.060 -0.213 -0.962 0.00 0.00 +0.150 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -2.697 -0.334 3.160 0.00 0.00 +0.122 A ATOM 12 C LIG 1 -3.855 -0.303 2.385 0.00 0.00 +0.050 A ATOM 13 C LIG 1 -3.816 -0.277 0.974 0.00 0.00 -0.028 A ATOM 14 C LIG 1 -2.528 -0.270 0.389 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.337 -0.294 1.139 0.00 0.00 +0.041 A ATOM 16 C LIG 1 -1.450 -0.328 2.531 0.00 0.00 +0.069 A BRANCH 13 17 ATOM 17 C LIG 1 -5.191 -0.252 0.121 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.983 1.105 0.167 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.298 1.483 -1.166 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -5.154 -0.033 -1.427 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -6.085 -1.490 0.527 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.882 -2.805 0.211 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.819 -3.366 -0.575 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.886 -3.496 0.816 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.657 -2.662 1.474 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.149 -1.397 1.298 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -6.095 2.194 -2.134 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -6.358 3.558 -1.835 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 13 17 BRANCH 11 30 ATOM 29 C LIG 1 -3.894 -0.430 5.216 0.00 0.00 +0.277 C ATOM 30 O LIG 1 -2.651 -0.370 4.527 0.00 0.00 -0.495 OA ENDBRANCH 11 30 ENDBRANCH 1 15 BRANCH 8 31 ATOM 31 C LIG 1 1.546 -0.091 -3.704 0.00 0.00 +0.418 C ATOM 32 F LIG 1 0.707 -1.147 -3.895 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.382 -0.074 -4.777 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.768 1.021 -3.811 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.839 -0.243 -0.970 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.314 1.101 -0.661 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.901 1.755 -1.325 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.763 1.303 -0.475 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.597 0.734 -1.644 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.958 -0.484 -0.768 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.407 0.261 0.465 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.049 2.753 -0.115 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9