REMARK Name = BDB008352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.121 0.105 -0.280 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.070 1.286 0.429 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.047 2.140 0.093 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.748 1.598 1.510 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.786 0.735 1.867 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.027 -0.438 1.132 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.176 -0.752 0.061 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -4.053 1.590 0.126 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -4.202 0.063 -0.003 0.00 0.00 +0.059 C ATOM 10 N LIG 1 -4.923 -0.261 -1.240 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -4.272 -0.604 -2.407 0.00 0.00 +0.152 A ATOM 12 N LIG 1 -5.160 -0.830 -3.347 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -6.399 -0.612 -2.818 0.00 0.00 -0.125 NA ATOM 14 C LIG 1 -2.797 -0.725 -2.546 0.00 0.00 +0.184 C ATOM 15 N LIG 1 -2.095 -0.314 -1.333 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.706 -0.229 -1.452 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.110 -0.451 -2.505 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -6.266 -0.252 -1.553 0.00 0.00 +0.238 A ATOM 19 C LIG 1 -2.785 -0.584 -0.069 0.00 0.00 +0.136 C ATOM 20 C LIG 1 -4.871 -0.501 1.264 0.00 0.00 +0.036 C BRANCH 18 21 ATOM 21 C LIG 1 -7.386 0.085 -0.639 0.00 0.00 +0.452 C ATOM 22 F LIG 1 -8.571 0.245 -1.284 0.00 0.00 -0.163 F ATOM 23 F LIG 1 -7.166 1.240 0.042 0.00 0.00 -0.163 F ATOM 24 F LIG 1 -7.583 -0.884 0.294 0.00 0.00 -0.163 F ENDBRANCH 18 21 ENDBRANCH 1 16 BRANCH 6 25 ATOM 25 C LIG 1 3.162 -1.368 1.500 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 4.499 -0.657 1.668 0.00 0.00 +0.074 A ATOM 27 C LIG 1 5.278 -0.240 0.474 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.486 0.418 0.703 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.279 0.848 -0.368 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.860 0.618 -1.677 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.654 -0.040 -1.913 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.922 0.659 2.087 0.00 0.00 +0.272 A ATOM 33 O LIG 1 7.977 1.232 2.336 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.081 0.206 3.074 0.00 0.00 -0.242 N ATOM 35 H LIG 1 6.370 0.361 4.035 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 4.863 -0.471 -0.843 0.00 0.00 +0.010 A ATOM 37 N LIG 1 4.897 -0.435 2.887 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4