REMARK Name = BDB057452 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.870 0.482 1.011 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.165 1.664 0.724 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.185 1.623 0.349 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -1.967 2.880 0.053 0.00 0.00 +0.265 C ATOM 5 O LIG 1 -2.911 3.192 1.074 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 -4.009 2.388 1.256 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -4.242 1.100 0.732 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.264 0.392 -0.146 0.00 0.00 -0.000 C ATOM 9 C LIG 1 -3.639 -0.146 -1.338 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -5.021 -0.134 -1.937 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -5.396 0.406 1.152 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -6.327 0.994 2.010 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.108 2.279 2.490 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -4.950 2.963 2.123 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -1.839 0.385 0.264 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -1.159 -0.792 0.585 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.184 -0.742 0.960 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 -2.667 -0.819 -2.238 0.00 0.00 +0.179 A ATOM 19 N LIG 1 -1.604 -0.151 -2.680 0.00 0.00 -0.272 N ATOM 20 H LIG 1 -1.297 0.775 -2.451 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -0.915 -0.995 -3.461 0.00 0.00 +0.440 A ATOM 22 O LIG 1 0.139 -0.742 -4.022 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -1.598 -2.182 -3.525 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -2.759 -2.017 -2.704 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 2.318 0.572 1.440 0.00 0.00 +0.158 C BRANCH 25 27 ATOM 26 C LIG 1 3.522 -0.737 -0.367 0.00 0.00 +0.111 A ATOM 27 N LIG 1 3.145 -0.521 0.945 0.00 0.00 -0.323 N ATOM 28 C LIG 1 3.719 -1.503 1.726 0.00 0.00 +0.069 A ATOM 29 C LIG 1 4.429 -2.284 0.819 0.00 0.00 +0.089 A ATOM 30 C LIG 1 5.148 -3.398 1.277 0.00 0.00 +0.030 A ATOM 31 C LIG 1 5.131 -3.697 2.644 0.00 0.00 +0.002 A ATOM 32 C LIG 1 4.411 -2.904 3.537 0.00 0.00 +0.002 A ATOM 33 C LIG 1 3.688 -1.788 3.098 0.00 0.00 +0.028 A ATOM 34 N LIG 1 4.295 -1.802 -0.455 0.00 0.00 -0.232 NA BRANCH 26 35 ATOM 35 C LIG 1 3.063 0.102 -1.521 0.00 0.00 +0.074 C BRANCH 35 37 ATOM 36 C LIG 1 5.338 0.758 -2.458 0.00 0.00 +0.004 C ATOM 37 C LIG 1 4.011 0.058 -2.723 0.00 0.00 +0.004 C ENDBRANCH 35 37 ENDBRANCH 26 35 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 5