REMARK Name = BDB030352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.041 1.224 0.036 0.00 0.00 -0.004 A ATOM 2 C LIG 1 0.215 0.020 -0.623 0.00 0.00 +0.164 A ATOM 3 F LIG 1 1.465 -0.260 -1.021 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -0.803 -0.900 -0.884 0.00 0.00 +0.180 A ATOM 5 F LIG 1 -0.460 -2.056 -1.472 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -2.131 -0.653 -0.505 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -2.388 0.581 0.138 0.00 0.00 +0.063 A ATOM 8 C LIG 1 -1.358 1.498 0.423 0.00 0.00 +0.022 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -3.770 0.908 0.572 0.00 0.00 +0.269 C ATOM 10 N LIG 1 -4.224 2.158 0.202 0.00 0.00 -0.190 N ATOM 11 H LIG 1 -3.589 2.881 -0.111 0.00 0.00 +0.183 HD ATOM 12 O LIG 1 -4.411 0.070 1.197 0.00 0.00 -0.268 OA BRANCH 10 13 ATOM 13 O LIG 1 -5.324 2.631 0.960 0.00 0.00 -0.277 OA BRANCH 13 14 ATOM 14 C LIG 1 -6.535 2.342 0.248 0.00 0.00 +0.218 C BRANCH 14 15 ATOM 15 C LIG 1 -7.713 2.950 1.006 0.00 0.00 +0.186 C BRANCH 15 16 ATOM 16 O LIG 1 -7.732 4.375 0.885 0.00 0.00 -0.393 OA ATOM 17 H LIG 1 -7.779 4.592 -0.061 0.00 0.00 +0.209 HD ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 7 9 BRANCH 6 18 ATOM 18 N LIG 1 -3.208 -1.526 -0.783 0.00 0.00 -0.309 N ATOM 19 H LIG 1 -3.915 -1.528 -0.036 0.00 0.00 +0.152 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.393 -2.576 -1.702 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -4.290 -3.612 -1.385 0.00 0.00 +0.145 A ATOM 22 F LIG 1 -4.960 -3.566 -0.222 0.00 0.00 -0.204 F ATOM 23 C LIG 1 -4.517 -4.688 -2.240 0.00 0.00 +0.054 A ATOM 24 C LIG 1 -3.836 -4.742 -3.450 0.00 0.00 +0.016 A ATOM 25 I LIG 1 -4.146 -6.339 -4.741 0.00 0.00 -0.044 I ATOM 26 C LIG 1 -2.946 -3.727 -3.800 0.00 0.00 +0.016 A ATOM 27 C LIG 1 -2.732 -2.650 -2.931 0.00 0.00 +0.027 A ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 1 28 ATOM 28 C LIG 1 1.084 2.179 0.351 0.00 0.00 +0.076 C BRANCH 28 32 ATOM 29 C LIG 1 3.826 0.950 2.659 0.00 0.00 +0.175 A ATOM 30 C LIG 1 3.146 1.279 1.490 0.00 0.00 +0.168 A ATOM 31 F LIG 1 3.725 1.130 0.290 0.00 0.00 -0.202 F ATOM 32 C LIG 1 1.862 1.815 1.589 0.00 0.00 -0.003 A ATOM 33 C LIG 1 1.324 1.992 2.870 0.00 0.00 +0.026 A ATOM 34 C LIG 1 2.092 1.645 3.977 0.00 0.00 +0.113 A ATOM 35 N LIG 1 3.341 1.136 3.901 0.00 0.00 -0.236 NA BRANCH 29 36 ATOM 36 N LIG 1 5.129 0.394 2.676 0.00 0.00 -0.187 N ATOM 37 H LIG 1 5.460 0.445 3.640 0.00 0.00 +0.176 HD BRANCH 36 38 ATOM 38 S LIG 1 5.178 -1.226 2.245 0.00 0.00 +0.110 S ATOM 39 O LIG 1 4.008 -1.618 1.503 0.00 0.00 -0.138 OA ATOM 40 O LIG 1 5.633 -1.934 3.417 0.00 0.00 -0.138 OA BRANCH 38 41 ATOM 41 N LIG 1 6.484 -1.178 1.206 0.00 0.00 -0.177 NA ATOM 42 H LIG 1 7.358 -1.036 1.706 0.00 0.00 +0.149 HD BRANCH 41 43 ATOM 43 C LIG 1 6.334 -0.451 -0.061 0.00 0.00 +0.107 C BRANCH 43 45 ATOM 44 C LIG 1 7.404 -0.096 -2.312 0.00 0.00 +0.005 C ATOM 45 C LIG 1 7.505 -0.807 -0.974 0.00 0.00 +0.013 C ENDBRANCH 43 45 ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 14