REMARK Name = BDB038514 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.029 1.233 -1.185 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.124 0.167 -1.253 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.301 -1.037 -1.288 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.222 0.751 -1.308 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.103 2.135 -1.290 0.00 0.00 -0.018 A ATOM 6 C LIG 1 2.230 2.934 -1.331 0.00 0.00 +0.006 A ATOM 7 C LIG 1 3.480 2.307 -1.392 0.00 0.00 +0.005 A ATOM 8 C LIG 1 3.601 0.897 -1.412 0.00 0.00 -0.033 A ATOM 9 C LIG 1 2.445 0.106 -1.369 0.00 0.00 +0.018 A ATOM 10 C LIG 1 -0.336 2.515 -1.223 0.00 0.00 +0.149 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.490 -0.193 -0.784 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -3.089 -0.092 -0.892 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -2.444 1.139 -1.078 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -3.244 2.289 -1.149 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.636 2.210 -1.058 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.255 0.975 -0.883 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -5.754 -1.885 0.625 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -5.129 -1.506 -0.588 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -5.112 -2.429 -1.655 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -5.699 -3.689 -1.529 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -6.302 -4.042 -0.332 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -6.865 -5.251 -0.207 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -6.332 -3.160 0.741 0.00 0.00 +0.050 A BRANCH 17 26 ATOM 24 C LIG 1 -8.259 -0.458 1.754 0.00 0.00 +0.152 C ATOM 25 N LIG 1 -6.923 -0.386 2.279 0.00 0.00 -0.317 N ATOM 26 C LIG 1 -5.796 -0.997 1.784 0.00 0.00 +0.164 A ATOM 27 N LIG 1 -4.776 -0.649 2.546 0.00 0.00 -0.129 NA ATOM 28 N LIG 1 -5.237 0.187 3.539 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -6.527 0.336 3.361 0.00 0.00 +0.225 A ENDBRANCH 17 26 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 4.969 0.255 -1.473 0.00 0.00 +0.116 C BRANCH 30 31 ATOM 31 N LIG 1 5.732 0.551 -0.264 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 5.203 0.241 0.548 0.00 0.00 +0.122 HD BRANCH 31 33 ATOM 33 C LIG 1 7.045 -0.108 -0.289 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 C LIG 1 7.887 0.258 0.950 0.00 0.00 +0.078 C ATOM 35 C LIG 1 7.354 -0.314 2.297 0.00 0.00 +0.036 C ATOM 36 C LIG 1 8.803 -0.689 2.655 0.00 0.00 +0.006 C ATOM 37 C LIG 1 9.130 -0.658 1.151 0.00 0.00 +0.036 C BRANCH 34 38 ATOM 38 O LIG 1 8.184 1.678 0.943 0.00 0.00 -0.387 OA ATOM 39 H LIG 1 8.530 1.882 1.827 0.00 0.00 +0.210 HD ENDBRANCH 34 38 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 8