REMARK Name = BDB009403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.457 0.154 3.166 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.660 -1.058 3.814 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.358 -1.722 4.379 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.932 -1.621 3.860 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.007 -0.970 3.248 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.817 0.252 2.584 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.536 0.824 2.574 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 2.838 1.623 -0.587 0.00 0.00 -0.327 N ATOM 9 C LIG 1 1.432 1.152 -0.601 0.00 0.00 +0.124 C ATOM 10 C LIG 1 1.122 0.324 0.661 0.00 0.00 +0.127 C ATOM 11 N LIG 1 1.462 1.048 1.901 0.00 0.00 -0.294 N ATOM 12 C LIG 1 0.885 0.760 3.140 0.00 0.00 +0.249 C ATOM 13 O LIG 1 1.408 1.040 4.215 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.811 1.627 1.917 0.00 0.00 +0.127 C ATOM 15 C LIG 1 3.141 2.408 0.630 0.00 0.00 +0.124 C BRANCH 8 19 ATOM 16 C LIG 1 5.712 -0.952 -2.371 0.00 0.00 +0.120 A ATOM 17 C LIG 1 5.949 -0.408 -1.114 0.00 0.00 +0.047 A ATOM 18 C LIG 1 5.006 0.447 -0.520 0.00 0.00 +0.027 A ATOM 19 C LIG 1 3.794 0.772 -1.147 0.00 0.00 +0.030 A ATOM 20 C LIG 1 3.595 0.229 -2.426 0.00 0.00 +0.027 A ATOM 21 C LIG 1 4.531 -0.623 -3.026 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C LIG 1 7.766 -2.144 -2.428 0.00 0.00 +0.277 C ATOM 23 O LIG 1 6.540 -1.793 -3.059 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 8 19 ENDBRANCH 1 12 BRANCH 6 24 ATOM 24 C LIG 1 -3.967 0.952 1.894 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 -3.735 1.109 0.391 0.00 0.00 +0.069 A ATOM 26 C LIG 1 -4.240 0.063 -0.553 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -4.975 -1.146 -0.048 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -5.142 -2.245 -1.102 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.534 -1.660 -2.452 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.481 -0.665 -2.943 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -4.003 0.264 -1.861 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -3.247 1.461 -2.307 0.00 0.00 +0.268 A ATOM 33 O LIG 1 -2.990 1.661 -3.489 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -2.852 2.321 -1.319 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -2.349 3.154 -1.605 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -3.082 2.169 0.011 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5