REMARK Name = BDB025241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.423 0.772 -1.111 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.564 -0.056 -0.366 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.051 -1.361 0.144 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.081 -1.171 1.272 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.957 -2.299 0.681 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.716 -2.220 -0.177 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.231 -0.800 -0.135 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.859 -0.487 -0.036 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.212 -1.335 0.059 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.288 -0.584 0.128 0.00 0.00 +0.202 A ATOM 11 N LIG 1 -0.940 0.758 0.081 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.438 0.834 -0.028 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.339 1.897 -0.116 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.700 1.579 -0.223 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.164 0.255 -0.240 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.133 1.848 -1.623 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.823 1.922 0.144 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.412 2.129 1.547 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.214 3.430 1.647 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -4.097 3.719 0.421 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -4.234 2.514 -0.512 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.884 1.958 -0.974 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.578 4.910 -0.359 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.408 5.200 -0.546 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.566 5.646 -0.898 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.104 6.363 -1.382 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.574 1.014 -2.037 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.668 0.226 -1.263 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.579 -0.998 0.248 0.00 0.00 -0.270 N ATOM 30 H LIG 1 -3.243 -0.305 0.571 0.00 0.00 +0.156 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.060 -2.274 0.286 0.00 0.00 +0.123 A ATOM 32 N LIG 1 -2.550 -3.379 -0.364 0.00 0.00 -0.253 N ATOM 33 C LIG 1 -1.496 -3.458 -1.348 0.00 0.00 +0.174 C ATOM 34 N LIG 1 -3.256 -4.510 -0.117 0.00 0.00 -0.175 NA ATOM 35 C LIG 1 -4.254 -4.112 0.675 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -5.255 -5.091 1.161 0.00 0.00 +0.067 C ATOM 37 C LIG 1 -4.191 -2.728 0.933 0.00 0.00 +0.068 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6