REMARK Name = BDB035364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.313 0.241 -1.098 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.424 -0.613 -0.290 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.071 -1.399 0.570 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.835 -0.404 -0.641 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.955 -1.027 -0.121 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.207 -0.648 -0.624 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.285 0.354 -1.623 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.135 0.980 -2.141 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.907 0.577 -1.627 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.528 1.051 -1.964 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.502 1.607 -1.997 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -2.179 1.377 -1.946 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -1.709 0.409 -1.130 0.00 0.00 +0.130 A ATOM 14 C LIG 1 -2.563 -0.371 -0.358 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -3.951 -0.161 -0.376 0.00 0.00 -0.027 A ATOM 16 C LIG 1 -4.393 0.872 -1.220 0.00 0.00 +0.048 A BRANCH 15 17 ATOM 17 C LIG 1 -4.981 -1.013 0.514 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -6.145 -1.705 -0.282 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.942 -2.994 0.538 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.950 -3.277 1.639 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -4.570 -2.450 0.983 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.502 -0.108 1.712 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -4.773 0.418 2.744 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -3.365 0.293 2.999 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -5.654 1.130 3.500 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -6.851 1.056 2.969 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.754 0.285 1.836 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 15 17 BRANCH 11 28 ATOM 28 N LIG 1 -4.020 2.640 -2.794 0.00 0.00 -0.329 N ATOM 29 H LIG 1 -4.805 2.279 -3.330 0.00 0.00 +0.147 HD BRANCH 28 31 ATOM 30 C LIG 1 -2.348 4.443 -2.860 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -3.068 3.353 -3.639 0.00 0.00 +0.099 C ENDBRANCH 28 31 ENDBRANCH 11 28 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 3.222 2.048 -3.198 0.00 0.00 +0.418 C ATOM 33 F LIG 1 4.489 2.303 -3.621 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.512 1.725 -4.314 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.719 3.238 -2.770 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.473 -1.279 -0.085 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.182 -0.332 0.774 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.514 0.069 1.433 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.378 -0.924 1.410 0.00 0.00 +0.017 C ATOM 40 C LIG 1 7.936 0.137 2.404 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.080 -0.497 3.518 0.00 0.00 +0.004 C ATOM 42 C LIG 1 6.968 -1.766 2.650 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.404 -1.489 0.450 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9