REMARK Name = BDB014186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.606 2.046 -1.127 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.134 1.107 -0.485 0.00 0.00 +0.249 C ATOM 3 N LIG 1 1.229 0.858 -0.401 0.00 0.00 -0.294 N ATOM 4 C LIG 1 2.145 1.845 -0.980 0.00 0.00 +0.127 C ATOM 5 C LIG 1 3.593 1.676 -0.492 0.00 0.00 +0.125 C ATOM 6 N LIG 1 4.082 0.319 -0.792 0.00 0.00 -0.312 N ATOM 7 C LIG 1 3.121 -0.785 -0.616 0.00 0.00 +0.125 C ATOM 8 C LIG 1 1.849 -0.355 0.146 0.00 0.00 +0.127 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 5.427 0.082 -0.514 0.00 0.00 +0.124 A ATOM 10 N LIG 1 6.136 1.043 0.129 0.00 0.00 -0.213 NA ATOM 11 C LIG 1 7.421 0.760 0.347 0.00 0.00 +0.160 A ATOM 12 C LIG 1 8.071 -0.404 -0.034 0.00 0.00 +0.086 A ATOM 13 N LIG 1 9.398 -0.326 0.366 0.00 0.00 -0.305 N ATOM 14 H LIG 1 10.127 -1.007 0.233 0.00 0.00 +0.170 HD ATOM 15 C LIG 1 9.585 0.908 1.008 0.00 0.00 +0.326 A ATOM 16 O LIG 1 10.625 1.320 1.488 0.00 0.00 -0.247 OA ATOM 17 C LIG 1 7.391 -1.385 -0.697 0.00 0.00 +0.033 A ATOM 18 N LIG 1 8.352 1.565 0.987 0.00 0.00 -0.291 N ATOM 19 H LIG 1 8.163 2.475 1.368 0.00 0.00 +0.172 HD ATOM 20 C LIG 1 6.038 -1.124 -0.943 0.00 0.00 +0.046 A ENDBRANCH 6 9 BRANCH 2 21 ATOM 21 C LIG 1 -1.091 0.203 0.177 0.00 0.00 +0.072 A ATOM 22 C LIG 1 -1.027 -0.054 1.543 0.00 0.00 +0.135 A ATOM 23 F LIG 1 -0.067 0.487 2.305 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -1.966 -0.885 2.146 0.00 0.00 +0.039 A ATOM 25 C LIG 1 -2.995 -1.442 1.383 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -3.104 -1.155 0.012 0.00 0.00 -0.041 A ATOM 27 C LIG 1 -2.135 -0.336 -0.587 0.00 0.00 +0.020 A BRANCH 26 28 ATOM 28 C LIG 1 -4.226 -1.737 -0.819 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -5.606 -1.524 -0.209 0.00 0.00 +0.074 A ATOM 30 C LIG 1 -6.268 -0.198 -0.305 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -7.524 -0.071 0.287 0.00 0.00 +0.050 A ATOM 32 C LIG 1 -8.214 1.147 0.245 0.00 0.00 +0.014 A ATOM 33 C LIG 1 -7.643 2.245 -0.394 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.387 2.126 -0.988 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.122 -1.234 0.961 0.00 0.00 +0.272 A ATOM 36 O LIG 1 -9.224 -1.170 1.493 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.375 -2.386 0.955 0.00 0.00 -0.242 N ATOM 38 H LIG 1 -7.774 -3.200 1.413 0.00 0.00 +0.192 HD ATOM 39 C LIG 1 -5.700 0.909 -0.947 0.00 0.00 +0.010 A ATOM 40 N LIG 1 -6.147 -2.544 0.392 0.00 0.00 -0.175 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 2 21 TORSDOF 4