REMARK Name = BDB034578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.153 -0.222 -0.922 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.904 -1.367 -0.738 0.00 0.00 -0.280 N ATOM 3 H LIG 1 0.350 -2.222 -0.738 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.558 0.933 -0.980 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.566 0.214 -1.368 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -3.937 -1.138 -1.310 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -2.978 -2.137 -1.122 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -1.664 -1.828 -1.008 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -1.313 -0.511 -1.066 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -2.213 0.528 -1.242 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -3.384 -3.590 -1.056 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -4.257 -4.082 0.076 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -2.814 -4.484 0.022 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 15 ATOM 14 C LIG 1 -5.106 1.247 -3.016 0.00 0.00 +0.029 C ATOM 15 C LIG 1 -4.601 1.316 -1.565 0.00 0.00 +0.084 C BRANCH 15 16 ATOM 16 N LIG 1 -5.698 1.210 -0.582 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -5.226 1.391 0.807 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -6.491 1.775 1.538 0.00 0.00 -0.015 C ATOM 19 C LIG 1 -6.415 2.524 2.850 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -6.870 1.095 2.836 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -7.551 2.107 0.531 0.00 0.00 +0.023 C ATOM 22 C LIG 1 -6.758 2.213 -0.765 0.00 0.00 +0.085 C ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 2.291 -1.487 -0.555 0.00 0.00 +0.034 A ATOM 24 C LIG 1 3.170 -0.398 -0.502 0.00 0.00 +0.027 A ATOM 25 C LIG 1 4.572 -0.534 -0.318 0.00 0.00 -0.032 A ATOM 26 C LIG 1 5.033 -1.860 -0.188 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.171 -2.961 -0.232 0.00 0.00 +0.002 A ATOM 28 C LIG 1 2.806 -2.773 -0.415 0.00 0.00 +0.023 A BRANCH 25 29 ATOM 29 C LIG 1 5.537 0.792 -0.284 0.00 0.00 +0.080 C ATOM 30 C LIG 1 5.069 2.003 0.565 0.00 0.00 +0.177 C ATOM 31 O LIG 1 5.145 2.895 -0.573 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 5.327 1.776 -1.470 0.00 0.00 +0.177 C BRANCH 29 33 ATOM 33 C LIG 1 7.034 0.491 -0.085 0.00 0.00 +0.248 C ATOM 34 F LIG 1 7.760 1.592 -0.457 0.00 0.00 -0.236 F BRANCH 33 35 ATOM 35 C LIG 1 7.418 0.107 1.309 0.00 0.00 +0.168 A ATOM 36 N LIG 1 8.654 0.327 1.865 0.00 0.00 -0.318 N ATOM 37 C LIG 1 9.799 0.949 1.256 0.00 0.00 +0.151 C ATOM 38 C LIG 1 8.596 -0.165 3.132 0.00 0.00 +0.224 A ATOM 39 N LIG 1 7.405 -0.666 3.353 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 6.663 -0.492 2.211 0.00 0.00 -0.132 NA ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 29 ENDBRANCH 2 23 TORSDOF 8