REMARK Name = BDB027585 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.833 -1.098 -1.226 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -2.550 -1.449 -0.099 0.00 0.00 -0.296 N ATOM 3 C LIG 1 -3.986 -1.692 -0.186 0.00 0.00 +0.130 C ATOM 4 C LIG 1 -4.424 -1.981 1.258 0.00 0.00 +0.092 C ATOM 5 C LIG 1 -3.174 -2.660 1.832 0.00 0.00 +0.043 C ATOM 6 C LIG 1 -2.019 -1.911 1.176 0.00 0.00 +0.110 C ATOM 7 O LIG 1 -2.341 -0.985 -2.337 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 4.466 0.622 0.074 0.00 0.00 +0.244 C ATOM 9 N LIG 1 3.842 -0.281 -0.790 0.00 0.00 -0.261 N ATOM 10 C LIG 1 2.410 -0.422 -0.900 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.868 -1.320 -1.847 0.00 0.00 +0.143 A ATOM 12 C LIG 1 0.492 -1.546 -1.940 0.00 0.00 +0.060 A ATOM 13 C LIG 1 -0.378 -0.867 -1.091 0.00 0.00 +0.040 A ATOM 14 C LIG 1 0.125 0.055 -0.174 0.00 0.00 +0.015 A ATOM 15 O LIG 1 2.625 -2.055 -2.731 0.00 0.00 -0.489 OA ATOM 16 C LIG 1 3.889 -1.444 -2.968 0.00 0.00 +0.248 C ATOM 17 C LIG 1 1.508 0.263 -0.073 0.00 0.00 +0.028 A ATOM 18 C LIG 1 4.610 -1.187 -1.657 0.00 0.00 +0.155 C ATOM 19 O LIG 1 3.935 1.588 0.617 0.00 0.00 -0.270 OA BRANCH 8 21 ATOM 20 C LIG 1 6.731 1.372 0.681 0.00 0.00 -0.007 C ATOM 21 C LIG 1 5.910 0.361 0.352 0.00 0.00 +0.065 C BRANCH 20 22 ATOM 22 C LIG 1 8.181 1.198 1.026 0.00 0.00 +0.111 C BRANCH 22 24 ATOM 23 C LIG 1 9.077 1.334 -1.238 0.00 0.00 +0.104 C ATOM 24 N LIG 1 9.134 1.851 0.125 0.00 0.00 -0.305 NA ATOM 25 C LIG 1 9.041 3.308 0.147 0.00 0.00 +0.104 C ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 8 21 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 N LIG 1 -4.694 -0.762 2.021 0.00 0.00 -0.309 N ATOM 27 H LIG 1 -3.978 -0.045 1.956 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.875 -0.110 1.689 0.00 0.00 +0.216 A ATOM 29 N LIG 1 -6.950 -0.807 1.295 0.00 0.00 -0.215 NA ATOM 30 C LIG 1 -8.060 -0.126 0.978 0.00 0.00 +0.076 A ATOM 31 C LIG 1 -8.123 1.268 1.037 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -9.301 1.962 0.696 0.00 0.00 +0.011 A ATOM 33 C LIG 1 -10.429 1.254 0.290 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -10.379 -0.134 0.228 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -6.955 1.886 1.448 0.00 0.00 +0.124 A ATOM 36 C LIG 1 -9.200 -0.807 0.570 0.00 0.00 +0.028 A ATOM 37 N LIG 1 -5.829 1.223 1.774 0.00 0.00 -0.222 NA ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 6