REMARK Name = BDB035302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.350 -0.499 1.311 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.927 0.378 2.167 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.276 0.490 2.207 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.083 -0.308 1.402 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.505 -1.220 0.515 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.110 -1.304 0.475 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.656 -1.030 1.018 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.459 -1.523 0.475 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.268 -1.009 0.954 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.892 -1.354 0.566 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.056 -0.548 1.327 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.795 0.324 2.226 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.641 -2.209 -0.263 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.215 -0.031 1.941 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.379 0.459 2.503 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.599 -0.050 2.040 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.992 -1.546 0.518 0.00 0.00 +0.119 C BRANCH 17 21 ATOM 18 C LIG 1 8.101 2.597 -1.308 0.00 0.00 +0.009 C ATOM 19 C LIG 1 7.167 1.417 -1.564 0.00 0.00 +0.000 C ATOM 20 C LIG 1 7.117 0.479 -0.339 0.00 0.00 +0.088 C ATOM 21 N LIG 1 6.573 -0.851 -0.633 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 5.779 -0.913 -1.854 0.00 0.00 +0.085 C ATOM 23 C LIG 1 6.639 -0.544 -3.068 0.00 0.00 +0.016 C ATOM 24 C LIG 1 7.576 0.641 -2.818 0.00 0.00 +0.006 C ENDBRANCH 17 21 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.340 -2.085 -0.333 0.00 0.00 -0.005 A ATOM 26 C LIG 1 -5.162 -1.590 -1.369 0.00 0.00 +0.047 A ATOM 27 C LIG 1 -5.972 -2.447 -2.127 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -5.967 -3.807 -1.849 0.00 0.00 +0.124 A ATOM 29 F LIG 1 -6.745 -4.629 -2.566 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -5.168 -4.328 -0.840 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -4.358 -3.473 -0.088 0.00 0.00 +0.012 A BRANCH 26 32 ATOM 32 C LIG 1 -5.160 -0.154 -1.727 0.00 0.00 +0.247 C ATOM 33 N LIG 1 -6.358 0.504 -1.616 0.00 0.00 -0.292 N ATOM 34 C LIG 1 -6.574 1.945 -1.638 0.00 0.00 +0.146 C ATOM 35 C LIG 1 -7.542 1.734 -0.463 0.00 0.00 +0.200 C ATOM 36 F LIG 1 -8.738 2.364 -0.545 0.00 0.00 -0.242 F ATOM 37 C LIG 1 -7.539 0.234 -0.813 0.00 0.00 +0.146 C ATOM 38 O LIG 1 -4.128 0.376 -2.123 0.00 0.00 -0.270 OA ENDBRANCH 26 32 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.889 1.492 3.158 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -3.247 2.850 3.330 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.562 2.735 2.617 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 6