REMARK Name = BDB022783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.460 -3.199 -0.927 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.204 -2.597 0.136 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.283 -2.464 1.160 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.898 -2.955 0.685 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.816 -3.419 -0.571 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.612 -2.224 0.119 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -3.074 -1.607 1.261 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -2.395 -1.259 1.924 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -3.325 -2.425 -0.859 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -4.392 -1.004 1.310 0.00 0.00 +0.145 C BRANCH 10 11 ATOM 11 C LIG 1 -4.411 0.390 0.715 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -3.331 1.248 1.012 0.00 0.00 +0.171 A ATOM 13 F LIG 1 -2.399 0.838 1.894 0.00 0.00 -0.201 F ATOM 14 C LIG 1 -3.174 2.506 0.420 0.00 0.00 +0.156 A ATOM 15 C LIG 1 -4.133 2.938 -0.487 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -5.250 2.139 -0.762 0.00 0.00 +0.032 A ATOM 17 C LIG 1 -5.421 0.884 -0.142 0.00 0.00 +0.076 A BRANCH 17 18 ATOM 18 N LIG 1 -6.644 0.192 -0.361 0.00 0.00 -0.200 N ATOM 19 N LIG 1 -7.139 -0.723 0.501 0.00 0.00 -0.039 NA ATOM 20 N LIG 1 -8.329 -1.070 0.032 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 -8.625 -0.385 -1.114 0.00 0.00 -0.116 NA ATOM 22 C LIG 1 -7.587 0.386 -1.343 0.00 0.00 +0.250 A ENDBRANCH 17 18 BRANCH 14 23 ATOM 23 O LIG 1 -2.062 3.205 0.800 0.00 0.00 -0.492 OA ATOM 24 C LIG 1 -1.822 4.452 0.160 0.00 0.00 +0.277 C ENDBRANCH 14 23 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 25 ATOM 25 C LIG 1 -0.983 -3.575 -2.292 0.00 0.00 +0.217 C BRANCH 25 27 ATOM 26 C LIG 1 0.702 -2.880 -3.813 0.00 0.00 +0.194 C ATOM 27 O LIG 1 0.018 -3.985 -3.239 0.00 0.00 -0.377 OA ENDBRANCH 25 27 ENDBRANCH 1 25 BRANCH 4 28 ATOM 28 C LIG 1 2.168 -3.025 1.394 0.00 0.00 +0.181 C BRANCH 28 29 ATOM 29 C LIG 1 2.982 -1.793 1.178 0.00 0.00 +0.010 A ATOM 30 C LIG 1 3.291 -0.915 2.190 0.00 0.00 +0.121 A ATOM 31 N LIG 1 4.026 0.200 2.019 0.00 0.00 -0.222 NA ATOM 32 C LIG 1 4.482 0.463 0.783 0.00 0.00 +0.218 A ATOM 33 N LIG 1 4.230 -0.334 -0.267 0.00 0.00 -0.222 NA ATOM 34 C LIG 1 3.489 -1.439 -0.052 0.00 0.00 +0.121 A BRANCH 32 35 ATOM 35 N LIG 1 5.211 1.610 0.579 0.00 0.00 -0.294 N ATOM 36 C LIG 1 6.115 1.666 -0.577 0.00 0.00 +0.183 C ATOM 37 C LIG 1 7.278 2.543 -0.102 0.00 0.00 +0.266 C ATOM 38 F LIG 1 8.328 1.779 0.289 0.00 0.00 -0.204 F ATOM 39 F LIG 1 7.722 3.381 -1.061 0.00 0.00 -0.204 F ATOM 40 C LIG 1 6.730 3.305 1.086 0.00 0.00 +0.096 C ATOM 41 C LIG 1 5.817 2.268 1.727 0.00 0.00 +0.114 C ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 10