REMARK Name = BDB015210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.230 3.254 -1.232 0.00 0.00 +0.024 A ATOM 2 C LIG 1 -1.338 2.237 -0.856 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.027 2.383 -1.079 0.00 0.00 +0.119 A ATOM 4 N LIG 1 0.548 3.476 -1.658 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -0.305 4.456 -2.018 0.00 0.00 +0.113 A ATOM 6 C LIG 1 -1.674 4.394 -1.824 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -6.229 0.780 -0.176 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -5.483 1.880 -0.519 0.00 0.00 +0.145 A ATOM 9 C LIG 1 -6.354 2.943 -0.697 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -5.778 4.153 -1.062 0.00 0.00 +0.124 A ATOM 11 N LIG 1 -4.436 4.232 -1.225 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 -3.686 3.123 -1.024 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -7.664 2.459 -0.444 0.00 0.00 +0.031 A ATOM 14 N LIG 1 -4.146 1.903 -0.667 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 -7.558 1.122 -0.122 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 -5.679 -0.529 0.124 0.00 0.00 +0.218 C BRANCH 16 20 ATOM 17 C LIG 1 -3.588 -1.430 -2.906 0.00 0.00 +0.128 C ATOM 18 N LIG 1 -4.054 -0.883 -1.657 0.00 0.00 -0.317 N ATOM 19 H LIG 1 -3.737 0.054 -1.413 0.00 0.00 +0.148 HD ATOM 20 C LIG 1 -5.268 -1.274 -1.128 0.00 0.00 +0.233 C ATOM 21 O LIG 1 -5.958 -2.171 -1.608 0.00 0.00 -0.274 OA ENDBRANCH 16 20 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 22 ATOM 22 N LIG 1 0.940 1.389 -0.726 0.00 0.00 -0.327 N ATOM 23 H LIG 1 1.844 1.747 -1.048 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 0.988 1.119 0.713 0.00 0.00 +0.135 C BRANCH 24 25 ATOM 25 C LIG 1 2.310 0.409 1.086 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 3.417 1.209 0.636 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 3.280 2.116 0.961 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 2.380 -1.009 0.465 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 3.394 -1.950 0.979 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 4.773 -1.497 0.734 0.00 0.00 +0.120 C ATOM 31 C LIG 1 5.812 -2.483 1.235 0.00 0.00 -0.030 A ATOM 32 C LIG 1 5.492 -3.417 2.238 0.00 0.00 -0.042 A ATOM 33 C LIG 1 6.478 -4.293 2.713 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.779 -4.224 2.216 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.104 -3.287 1.238 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.076 -3.521 2.747 0.00 0.00 +0.051 C ATOM 37 C LIG 1 7.127 -2.418 0.752 0.00 0.00 +0.005 A ATOM 38 C LIG 1 3.223 -2.293 2.393 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 9