REMARK Name = BDB052214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.175 -0.854 -0.979 0.00 0.00 +0.139 A ATOM 2 C LIG 1 -0.071 -0.343 0.323 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -1.395 -0.355 0.761 0.00 0.00 +0.152 A ATOM 4 O LIG 1 -1.860 0.102 1.980 0.00 0.00 -0.458 OA ATOM 5 C LIG 1 -3.250 0.052 1.942 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -3.735 -0.734 0.739 0.00 0.00 +0.117 C ATOM 7 C LIG 1 -4.250 -2.126 1.123 0.00 0.00 +0.033 C ATOM 8 C LIG 1 -4.828 0.148 0.144 0.00 0.00 +0.169 C ATOM 9 O LIG 1 -4.802 0.576 -1.010 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 -5.961 0.490 1.100 0.00 0.00 +0.192 C ATOM 11 C LIG 1 -5.448 0.950 2.451 0.00 0.00 +0.177 C ATOM 12 O LIG 1 -6.176 1.471 3.292 0.00 0.00 -0.291 OA ATOM 13 C LIG 1 -4.006 0.789 2.764 0.00 0.00 +0.090 C ATOM 14 C LIG 1 -2.449 -0.836 -0.026 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -2.198 -1.354 -1.274 0.00 0.00 +0.128 A ATOM 16 C LIG 1 -0.892 -1.358 -1.759 0.00 0.00 +0.092 A ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 0.984 0.206 1.242 0.00 0.00 +0.252 C ATOM 18 N LIG 1 2.268 0.282 0.760 0.00 0.00 -0.304 N ATOM 19 H LIG 1 2.425 0.095 -0.224 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 0.711 0.582 2.378 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 3.321 0.933 1.499 0.00 0.00 +0.179 C BRANCH 21 22 ATOM 22 C LIG 1 4.615 0.599 0.858 0.00 0.00 +0.123 A ATOM 23 O LIG 1 4.863 1.177 -0.355 0.00 0.00 -0.458 OA ATOM 24 C LIG 1 6.084 0.738 -0.766 0.00 0.00 +0.135 A ATOM 25 C LIG 1 6.623 -0.136 0.171 0.00 0.00 +0.020 A ATOM 26 C LIG 1 7.884 -0.701 -0.087 0.00 0.00 +0.011 A ATOM 27 C LIG 1 8.547 -0.351 -1.274 0.00 0.00 +0.001 A ATOM 28 C LIG 1 7.973 0.537 -2.189 0.00 0.00 +0.004 A ATOM 29 C LIG 1 6.716 1.104 -1.954 0.00 0.00 +0.047 A ATOM 30 C LIG 1 5.665 -0.221 1.216 0.00 0.00 +0.055 A ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 17 BRANCH 10 31 ATOM 31 C LIG 1 -6.955 1.458 0.501 0.00 0.00 +0.148 C ATOM 32 O LIG 1 -8.059 1.065 0.113 0.00 0.00 -0.296 OA ATOM 33 C LIG 1 -6.556 2.907 0.365 0.00 0.00 +0.087 C ENDBRANCH 10 31 BRANCH 1 35 ATOM 34 C LIG 1 1.761 -1.387 -2.711 0.00 0.00 +0.277 C ATOM 35 O LIG 1 1.474 -0.835 -1.430 0.00 0.00 -0.494 OA ENDBRANCH 1 35 BRANCH 15 36 ATOM 36 O LIG 1 -3.229 -1.873 -1.990 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 -2.981 -1.910 -2.931 0.00 0.00 +0.292 HD ENDBRANCH 15 36 TORSDOF 6