REMARK Name = BDB035394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.488 -0.186 0.894 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.723 0.062 1.546 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.965 0.511 2.652 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.795 -0.333 0.624 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.164 -0.273 0.818 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.992 -0.710 -0.224 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.412 -1.181 -1.427 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.016 -1.237 -1.607 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.220 -0.800 -0.552 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.269 -0.729 -0.442 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.262 -0.035 1.091 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.933 -0.247 0.642 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.792 0.044 1.413 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.997 0.566 2.690 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.287 0.791 3.173 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.397 0.497 2.384 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.509 -0.377 0.126 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -6.958 -0.483 0.710 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -6.826 -2.020 0.733 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.489 -2.662 2.070 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.668 -1.889 -0.277 0.00 0.00 +0.022 C BRANCH 17 24 ATOM 22 C LIG 1 -5.902 2.814 -0.057 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -5.623 1.938 -1.161 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.451 0.581 -1.137 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -5.165 0.169 -2.355 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -5.170 1.263 -3.187 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -5.444 2.317 -2.455 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.404 -1.727 -2.892 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.305 -2.260 -3.761 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.765 -0.734 -3.567 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.470 -2.695 -2.680 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.498 -0.652 -0.083 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 6.042 0.431 -0.904 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.516 1.281 -0.697 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.498 0.576 -0.744 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.902 1.924 -1.415 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.744 2.223 -0.156 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.823 1.255 0.617 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.314 -0.628 -1.181 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7