REMARK Name = BDB038361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.665 0.159 1.072 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.582 -0.716 1.177 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.648 -0.341 0.661 0.00 0.00 +0.131 A ATOM 4 N LIG 1 0.827 0.852 0.047 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 -0.203 1.717 -0.076 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -1.446 1.395 0.454 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.777 -1.178 0.734 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.856 -2.459 1.258 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.004 -3.172 1.754 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.254 -2.886 1.105 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.839 -4.082 1.476 0.00 0.00 +0.013 A ATOM 12 C LIG 1 5.200 -4.241 1.215 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.935 -3.212 0.596 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.327 -1.999 0.221 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.968 -1.859 0.491 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.052 -0.707 0.218 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.104 -0.893 -0.441 0.00 0.00 +0.418 C ATOM 18 F LIG 1 5.585 -0.551 -1.652 0.00 0.00 -0.166 F ATOM 19 F LIG 1 7.410 -1.202 -0.666 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.109 0.249 0.299 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 -4.170 -0.192 0.789 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.000 -0.210 1.590 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -3.131 -0.578 2.944 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -4.373 -0.903 3.495 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.516 -0.859 2.705 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.416 -0.502 1.362 0.00 0.00 +0.012 A BRANCH 21 29 ATOM 27 C LIG 1 -2.892 -1.853 -1.540 0.00 0.00 +0.152 C ATOM 28 N LIG 1 -3.558 -0.582 -1.635 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -4.147 0.150 -0.633 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -4.699 1.220 -1.178 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 -4.434 1.208 -2.528 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -3.748 0.121 -2.785 0.00 0.00 +0.225 A ENDBRANCH 21 29 ENDBRANCH 1 22 BRANCH 5 33 ATOM 33 N LIG 1 0.024 2.910 -0.720 0.00 0.00 -0.315 N ATOM 34 C LIG 1 -1.042 3.762 -1.236 0.00 0.00 +0.106 C ATOM 35 C LIG 1 -0.283 4.873 -1.955 0.00 0.00 +0.020 C ATOM 36 C LIG 1 0.925 4.143 -2.518 0.00 0.00 +0.020 C ATOM 37 C LIG 1 1.284 3.142 -1.419 0.00 0.00 +0.106 C ENDBRANCH 5 33 TORSDOF 5