REMARK Name = BDB056697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.304 0.132 -1.901 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.498 -0.986 -2.087 0.00 0.00 -0.268 N ATOM 3 C LIG 1 1.719 -1.382 -1.516 0.00 0.00 +0.058 A ATOM 4 C LIG 1 2.091 -2.637 -1.987 0.00 0.00 +0.070 A ATOM 5 N LIG 1 3.204 -3.306 -1.622 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 3.997 -2.668 -0.731 0.00 0.00 +0.115 A ATOM 7 C LIG 1 3.737 -1.398 -0.203 0.00 0.00 -0.023 A ATOM 8 C LIG 1 1.084 -3.186 -2.979 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.740 -3.486 -4.334 0.00 0.00 +0.019 C ATOM 10 C LIG 1 0.405 -4.441 -2.414 0.00 0.00 +0.019 C ATOM 11 C LIG 1 2.574 -0.739 -0.637 0.00 0.00 +0.030 A ATOM 12 C LIG 1 0.100 -1.996 -3.084 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -1.229 0.358 -2.692 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 0.010 1.061 -0.716 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 0.281 5.542 -0.143 0.00 0.00 +0.025 C ATOM 16 C LIG 1 0.128 4.069 0.232 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -0.323 3.982 1.633 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 0.400 4.346 2.255 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -0.630 2.591 1.998 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -1.608 1.883 1.008 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.126 1.947 -0.399 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -0.844 3.354 -0.753 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -1.952 0.460 1.565 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 N LIG 1 -2.725 -0.484 0.714 0.00 0.00 -0.291 NA ATOM 25 C LIG 1 -4.125 -0.016 0.475 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -4.236 0.850 -0.786 0.00 0.00 +0.026 C ATOM 27 C LIG 1 -5.152 -1.172 0.305 0.00 0.00 +0.178 C ATOM 28 O LIG 1 -5.177 -2.134 1.361 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 -3.987 -2.149 2.140 0.00 0.00 +0.178 C ATOM 30 C LIG 1 -2.708 -1.836 1.341 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -2.419 -2.885 0.264 0.00 0.00 +0.026 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 32 ATOM 32 C LIG 1 4.735 -0.778 0.752 0.00 0.00 +0.071 C BRANCH 32 33 ATOM 33 C LIG 1 4.201 0.336 1.630 0.00 0.00 -0.043 A ATOM 34 C LIG 1 4.450 1.681 1.307 0.00 0.00 +0.007 A ATOM 35 C LIG 1 3.922 2.704 2.095 0.00 0.00 +0.038 A ATOM 36 C LIG 1 3.148 2.384 3.206 0.00 0.00 +0.123 A ATOM 37 F LIG 1 2.632 3.367 3.956 0.00 0.00 -0.205 F ATOM 38 C LIG 1 2.896 1.059 3.546 0.00 0.00 +0.038 A ATOM 39 C LIG 1 3.419 0.034 2.759 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6