REMARK Name = BDB034568 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.426 0.386 1.193 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.547 -0.465 0.646 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.895 0.667 1.487 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.328 1.617 2.128 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.040 1.238 1.409 0.00 0.00 -0.032 A ATOM 6 C LIG 1 2.811 0.602 1.119 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.575 1.112 1.546 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.551 2.293 2.280 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.741 2.955 2.576 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.962 2.436 2.144 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 5.445 0.637 0.901 0.00 0.00 +0.080 C ATOM 12 C LIG 1 6.615 0.652 1.925 0.00 0.00 +0.177 C ATOM 13 O LIG 1 6.985 -0.702 1.562 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 5.642 -0.905 1.038 0.00 0.00 +0.177 C BRANCH 11 15 ATOM 15 C LIG 1 5.819 1.288 -0.443 0.00 0.00 +0.248 C ATOM 16 F LIG 1 6.453 2.471 -0.171 0.00 0.00 -0.236 F BRANCH 15 19 ATOM 17 C LIG 1 8.929 1.385 -0.979 0.00 0.00 +0.151 C ATOM 18 N LIG 1 7.965 0.520 -1.603 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.611 0.462 -1.399 0.00 0.00 +0.168 A ATOM 20 N LIG 1 6.107 -0.446 -2.215 0.00 0.00 -0.132 NA ATOM 21 N LIG 1 7.135 -1.002 -2.933 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 8.244 -0.414 -2.554 0.00 0.00 +0.224 A ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -1.838 -0.354 0.921 0.00 0.00 +0.126 A ATOM 24 N LIG 1 -1.254 -1.374 0.229 0.00 0.00 -0.247 NA ATOM 25 C LIG 1 -2.065 -2.315 -0.312 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.451 -2.250 -0.149 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.039 -1.195 0.564 0.00 0.00 -0.029 A ATOM 28 C LIG 1 -3.205 -0.225 1.116 0.00 0.00 +0.038 A BRANCH 25 29 ATOM 29 C LIG 1 -1.433 -3.450 -1.083 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -0.348 -3.162 -2.096 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -1.702 -3.602 -2.563 0.00 0.00 +0.010 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 -5.540 -1.122 0.743 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -6.263 -1.166 -0.539 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -6.139 0.106 -1.283 0.00 0.00 +0.091 C ATOM 35 C LIG 1 -7.282 0.951 -0.775 0.00 0.00 -0.015 C ATOM 36 C LIG 1 -7.777 2.132 -1.581 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -7.035 2.366 -0.298 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -8.248 0.074 -0.034 0.00 0.00 +0.023 C ATOM 39 C LIG 1 -7.715 -1.326 -0.323 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 3 23 TORSDOF 8