REMARK Name = BDB035673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.377 1.072 -0.429 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.673 1.978 -0.603 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.692 3.113 -1.042 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.896 1.310 -0.138 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.189 1.802 -0.111 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.197 0.967 0.386 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.866 -0.337 0.832 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.545 -0.823 0.794 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.566 0.034 0.301 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.096 -0.186 0.139 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.089 0.444 -0.781 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.704 0.286 -0.519 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.748 1.296 -0.731 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.204 2.514 -1.238 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.558 2.716 -1.508 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.483 1.698 -1.278 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.362 -2.164 -1.653 0.00 0.00 +0.049 C ATOM 18 C LIG 1 6.540 -0.726 -1.142 0.00 0.00 +0.033 C ATOM 19 C LIG 1 5.116 -0.765 -0.493 0.00 0.00 +0.057 C ATOM 20 C LIG 1 4.865 -2.073 -1.327 0.00 0.00 +0.033 C BRANCH 19 21 ATOM 21 C LIG 1 5.124 -1.047 1.072 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.795 -0.373 2.054 0.00 0.00 -0.320 N ATOM 23 C LIG 1 6.685 0.746 1.923 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.423 -0.951 3.229 0.00 0.00 +0.224 A ATOM 25 N LIG 1 4.555 -1.906 2.994 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.357 -1.960 1.636 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 8.846 -3.268 -1.445 0.00 0.00 +0.084 C ATOM 28 S LIG 1 7.246 -3.389 -0.617 0.00 0.00 -0.161 S ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.199 -2.208 1.271 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.559 -2.936 0.316 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.278 -2.946 1.648 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.364 -2.185 2.345 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.633 1.443 0.443 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.458 0.673 -0.488 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -6.111 0.826 -1.435 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.893 0.948 -0.327 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -8.418 0.253 0.961 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -9.564 -0.328 0.106 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.650 -0.156 -1.125 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.314 2.374 -0.625 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8