REMARK Name = BDB019088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.367 0.145 -0.031 0.00 0.00 +0.027 A ATOM 2 C LIG 1 -1.022 1.315 0.431 0.00 0.00 +0.078 A ATOM 3 N LIG 1 -2.385 1.238 0.607 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -2.786 2.447 1.113 0.00 0.00 +0.206 A ATOM 5 N LIG 1 -1.783 3.296 1.208 0.00 0.00 -0.243 NA ATOM 6 C LIG 1 -3.127 0.077 0.325 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.516 -1.005 -0.083 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 -0.678 2.597 0.788 0.00 0.00 +0.139 A ATOM 9 C LIG 1 -1.145 -0.938 -0.253 0.00 0.00 +0.125 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 1.552 -0.606 2.140 0.00 0.00 +0.066 C ATOM 11 C LIG 1 1.994 -0.321 0.732 0.00 0.00 +0.047 A ATOM 12 C LIG 1 1.081 0.031 -0.270 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.582 0.280 -1.551 0.00 0.00 +0.012 A ATOM 14 C LIG 1 2.948 0.174 -1.798 0.00 0.00 +0.030 A ATOM 15 C LIG 1 3.802 -0.172 -0.753 0.00 0.00 +0.111 A ATOM 16 N LIG 1 3.330 -0.428 0.500 0.00 0.00 -0.250 NA BRANCH 15 17 ATOM 17 C LIG 1 5.296 -0.323 -1.036 0.00 0.00 +0.303 C ATOM 18 F LIG 1 5.699 0.503 -2.054 0.00 0.00 -0.197 F ATOM 19 F LIG 1 5.583 -1.590 -1.471 0.00 0.00 -0.197 F BRANCH 17 20 ATOM 20 C LIG 1 6.159 -0.014 0.224 0.00 0.00 +0.166 C BRANCH 20 21 ATOM 21 N LIG 1 7.628 0.070 0.029 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 8.331 0.353 1.282 0.00 0.00 +0.084 C ATOM 23 C LIG 1 9.777 0.057 0.923 0.00 0.00 +0.017 C ATOM 24 C LIG 1 9.702 -1.015 -0.157 0.00 0.00 +0.017 C ATOM 25 C LIG 1 8.219 -1.173 -0.468 0.00 0.00 +0.084 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 6 26 ATOM 26 N LIG 1 -4.492 0.056 0.492 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -4.783 -0.920 0.487 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.328 0.785 -0.458 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 -6.766 0.665 -0.054 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -7.556 -0.429 -0.397 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.217 -1.663 -1.145 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -8.625 -2.215 -1.370 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -9.511 -1.664 -0.369 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -8.874 -0.520 0.036 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -9.463 0.450 0.821 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -8.693 1.558 1.172 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -7.364 1.655 0.738 0.00 0.00 +0.129 A ATOM 38 F LIG 1 -6.650 2.730 1.103 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 7