REMARK Name = BDB014201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.197 1.593 -1.070 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -1.488 2.915 -1.435 0.00 0.00 +0.067 A ATOM 3 C LIG 1 -2.330 3.664 -0.596 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -2.865 3.105 0.569 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.593 1.776 0.917 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -1.744 1.027 0.092 0.00 0.00 +0.017 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -0.783 0.502 -3.063 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.357 0.744 -1.939 0.00 0.00 +0.247 C ATOM 9 N LIG 1 0.848 0.271 -1.444 0.00 0.00 -0.295 N ATOM 10 C LIG 1 1.481 0.723 -0.198 0.00 0.00 +0.127 C ATOM 11 C LIG 1 3.017 0.591 -0.213 0.00 0.00 +0.124 C ATOM 12 N LIG 1 3.434 -0.781 -0.544 0.00 0.00 -0.326 N ATOM 13 C LIG 1 2.581 -1.536 -1.484 0.00 0.00 +0.124 C ATOM 14 C LIG 1 1.647 -0.615 -2.290 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 4.692 -1.262 -0.196 0.00 0.00 +0.050 A ATOM 16 C LIG 1 5.721 -0.412 0.242 0.00 0.00 +0.056 A ATOM 17 C LIG 1 6.965 -0.961 0.583 0.00 0.00 +0.109 A ATOM 18 C LIG 1 7.114 -2.334 0.470 0.00 0.00 +0.158 A ATOM 19 N LIG 1 8.398 -2.583 0.856 0.00 0.00 -0.329 N ATOM 20 H LIG 1 8.828 -3.494 0.888 0.00 0.00 +0.168 HD ATOM 21 C LIG 1 8.970 -1.383 1.180 0.00 0.00 +0.198 A ATOM 22 N LIG 1 6.204 -3.235 0.072 0.00 0.00 -0.234 NA ATOM 23 N LIG 1 8.130 -0.380 1.026 0.00 0.00 -0.234 NA ATOM 24 C LIG 1 5.018 -2.635 -0.242 0.00 0.00 +0.136 A ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 2 25 ATOM 25 C LIG 1 -0.917 3.527 -2.688 0.00 0.00 +0.418 C ATOM 26 F LIG 1 0.404 3.253 -2.871 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -1.566 3.151 -3.821 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -0.990 4.893 -2.670 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 C LIG 1 -3.169 1.195 2.190 0.00 0.00 +0.093 C BRANCH 29 30 ATOM 30 C LIG 1 -3.657 -0.241 2.052 0.00 0.00 +0.074 A ATOM 31 C LIG 1 -4.944 -0.529 1.369 0.00 0.00 +0.011 A ATOM 32 C LIG 1 -5.327 -1.865 1.273 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -6.526 -2.221 0.643 0.00 0.00 +0.014 A ATOM 34 C LIG 1 -7.345 -1.231 0.104 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.967 0.108 0.195 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.455 -2.905 1.842 0.00 0.00 +0.272 A ATOM 37 O LIG 1 -4.755 -4.093 1.788 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 -3.296 -2.466 2.433 0.00 0.00 -0.242 N ATOM 39 H LIG 1 -2.685 -3.171 2.833 0.00 0.00 +0.192 HD ATOM 40 C LIG 1 -5.770 0.462 0.826 0.00 0.00 +0.010 A ATOM 41 N LIG 1 -2.893 -1.173 2.544 0.00 0.00 -0.175 NA ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 5