REMARK Name = BDB004695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.224 -2.667 0.708 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.778 -2.232 0.625 0.00 0.00 -0.030 A ATOM 3 C LIG 1 0.143 -2.950 -0.147 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.474 -2.531 -0.237 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.912 -1.385 0.439 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.992 -0.660 1.196 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -0.340 -1.080 1.288 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 N LIG 1 3.267 -1.024 0.287 0.00 0.00 -0.269 N ATOM 9 H LIG 1 3.830 -1.647 -0.270 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 3.961 -0.035 0.974 0.00 0.00 +0.308 C ATOM 11 N LIG 1 5.238 0.100 0.446 0.00 0.00 -0.269 N ATOM 12 H LIG 1 5.387 -0.319 -0.459 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 3.512 0.618 1.905 0.00 0.00 -0.252 OA BRANCH 11 14 ATOM 14 C LIG 1 6.284 0.918 0.922 0.00 0.00 +0.035 A ATOM 15 C LIG 1 6.245 1.609 2.135 0.00 0.00 +0.023 A ATOM 16 C LIG 1 7.329 2.393 2.540 0.00 0.00 +0.002 A ATOM 17 C LIG 1 8.464 2.490 1.739 0.00 0.00 +0.000 A ATOM 18 C LIG 1 8.518 1.799 0.531 0.00 0.00 +0.002 A ATOM 19 C LIG 1 7.434 1.016 0.127 0.00 0.00 +0.023 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -2.995 -2.105 -0.399 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.400 -1.968 -1.211 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 -5.826 1.513 -1.946 0.00 0.00 +0.063 A ATOM 23 C LIG 1 -5.106 0.890 -0.904 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -4.430 -0.309 -1.205 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -3.701 -0.908 -0.154 0.00 0.00 +0.130 A ATOM 26 N LIG 1 -3.691 -0.395 1.085 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -4.364 0.737 1.272 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -4.509 -0.861 -2.509 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -5.226 -0.234 -3.519 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.057 1.406 0.344 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.878 0.955 -3.238 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 -6.619 3.364 -0.532 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -7.101 4.242 -0.410 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -6.112 2.951 0.246 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 -6.582 2.794 -1.769 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -7.162 3.332 -2.707 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 6