REMARK Name = BDB035586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.028 -0.181 -0.399 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.168 -0.362 -1.189 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.308 -0.441 -2.396 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.312 -0.463 -0.273 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.649 -0.640 -0.581 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.562 -0.707 0.480 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.095 -0.581 1.812 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.730 -0.400 2.107 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.848 -0.346 1.031 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.365 -0.164 1.020 0.00 0.00 +0.150 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -2.943 0.134 -2.667 0.00 0.00 -0.046 A ATOM 12 C LIG 1 -3.972 0.273 -1.727 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -3.722 0.270 -0.344 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -2.369 0.125 0.048 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.308 -0.026 -0.862 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -1.623 -0.022 -2.223 0.00 0.00 +0.027 A BRANCH 13 17 ATOM 17 C LIG 1 -4.881 0.400 0.758 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -4.798 1.672 1.673 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.340 1.735 1.665 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -6.293 0.929 0.345 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -4.983 -0.957 1.584 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.209 -2.217 1.101 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.408 -2.625 -0.262 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.199 -3.042 2.184 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.985 -2.337 3.270 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.845 -1.023 2.893 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -6.903 3.060 1.574 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -8.320 3.132 1.623 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 13 17 BRANCH 11 30 ATOM 29 C LIG 1 -3.553 -1.286 -4.641 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -3.254 0.120 -4.143 0.00 0.00 +0.032 C ENDBRANCH 11 30 ENDBRANCH 1 15 BRANCH 8 31 ATOM 31 C LIG 1 2.237 -0.266 3.522 0.00 0.00 +0.418 C ATOM 32 F LIG 1 3.220 -0.346 4.459 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.331 -1.230 3.841 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.606 0.921 3.735 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 6.041 -0.882 0.209 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.752 0.371 0.461 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.250 1.125 -0.009 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 8.186 0.291 0.112 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.775 1.723 0.283 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.473 1.995 -1.204 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.381 0.471 -1.419 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.963 -0.797 0.825 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9