REMARK Name = BDB064096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.745 -0.432 -0.147 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.363 0.697 0.573 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.764 0.704 1.299 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.142 1.849 0.541 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.330 1.866 -0.193 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.757 0.723 -0.888 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.947 -0.424 -0.868 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.510 -1.700 0.083 0.00 0.00 +0.184 A ATOM 9 N LIG 1 -4.182 -1.517 -0.163 0.00 0.00 -0.307 N ATOM 10 C LIG 1 -3.471 -0.305 -0.496 0.00 0.00 +0.144 C ATOM 11 C LIG 1 -2.106 -0.635 -1.095 0.00 0.00 +0.130 C ATOM 12 N LIG 1 -1.412 -1.661 -0.305 0.00 0.00 -0.288 N ATOM 13 C LIG 1 -2.113 -2.943 -0.165 0.00 0.00 +0.184 C ATOM 14 C LIG 1 -0.035 -1.684 -0.095 0.00 0.00 +0.250 C ATOM 15 O LIG 1 0.588 -2.720 0.135 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -3.578 -2.737 -0.005 0.00 0.00 +0.151 A ATOM 17 N LIG 1 -4.503 -3.632 0.273 0.00 0.00 -0.132 NA ATOM 18 N LIG 1 -5.716 -2.980 0.328 0.00 0.00 -0.127 NA BRANCH 8 22 ATOM 19 C LIG 1 -7.736 2.686 -0.219 0.00 0.00 +0.172 C ATOM 20 N LIG 1 -7.601 1.262 -0.031 0.00 0.00 -0.274 N ATOM 21 N LIG 1 -6.386 0.690 -0.148 0.00 0.00 -0.168 NA ATOM 22 C LIG 1 -6.623 -0.608 0.092 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -7.989 -0.852 0.355 0.00 0.00 +0.052 A ATOM 24 C LIG 1 -8.595 0.379 0.267 0.00 0.00 +0.108 A ENDBRANCH 8 22 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 4.051 0.726 -1.671 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 5.245 1.223 -0.865 0.00 0.00 +0.074 A ATOM 27 C LIG 1 5.896 0.333 0.132 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.973 0.858 0.843 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.639 0.088 1.804 0.00 0.00 +0.014 A ATOM 30 C LIG 1 7.223 -1.218 2.054 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.146 -1.751 1.346 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.407 2.238 0.575 0.00 0.00 +0.272 A ATOM 33 O LIG 1 8.351 2.742 1.175 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.697 2.921 -0.381 0.00 0.00 -0.242 N ATOM 35 H LIG 1 6.986 3.873 -0.581 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 5.483 -0.980 0.385 0.00 0.00 +0.010 A ATOM 37 N LIG 1 5.640 2.442 -1.090 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4