REMARK Name = BDB025170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.226 -0.849 1.734 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.539 -0.038 0.812 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.319 0.865 -0.059 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.784 0.140 -1.328 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.571 2.161 -0.356 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.252 1.869 -1.032 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.477 0.822 -0.284 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.079 0.732 -0.488 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.283 1.503 -1.297 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -0.950 1.077 -1.118 0.00 0.00 +0.204 A ATOM 11 N LIG 1 -0.965 -0.031 -0.285 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.325 -0.229 0.170 0.00 0.00 +0.071 A ATOM 13 C LIG 1 0.906 -1.133 1.054 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.293 -1.046 1.248 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.103 -0.095 0.604 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.733 -1.594 2.572 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.119 -0.888 -0.011 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.921 -2.325 -0.527 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.189 -3.181 -0.355 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.993 -2.831 0.905 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.136 -2.159 1.969 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.554 -0.838 1.467 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.088 -3.074 -1.569 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.130 -2.163 -2.377 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.915 -4.131 -1.685 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.437 -3.939 -2.493 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.339 -1.523 2.534 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.586 -0.724 1.620 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.087 1.582 -1.685 0.00 0.00 -0.274 N ATOM 30 C LIG 1 -1.849 2.446 -2.852 0.00 0.00 +0.138 C BRANCH 29 31 ATOM 31 C LIG 1 -3.111 2.160 -0.872 0.00 0.00 +0.036 A ATOM 32 C LIG 1 -4.449 2.084 -1.292 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -5.478 2.621 -0.514 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -5.182 3.243 0.697 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.861 3.327 1.130 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -2.833 2.788 0.353 0.00 0.00 +0.023 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6