REMARK Name = BDB035398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.245 1.816 -0.215 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.343 0.547 -0.247 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.147 -0.565 -0.173 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.792 0.751 -0.371 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.792 -0.200 -0.458 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.115 0.249 -0.569 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.382 1.641 -0.575 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.351 2.595 -0.484 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.048 2.117 -0.384 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.761 2.869 -0.263 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.991 1.318 -0.102 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.600 1.087 -0.220 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.635 2.102 -0.126 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.087 3.413 0.061 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.449 3.687 0.183 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.380 2.653 0.112 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.078 0.132 -0.183 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -4.750 -1.132 -1.049 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -6.140 -1.047 -1.727 0.00 0.00 -0.032 C ATOM 20 C LIG 1 -6.076 -1.086 -3.253 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -7.163 -2.050 -1.196 0.00 0.00 +0.011 C ATOM 22 C LIG 1 -6.284 0.386 -1.158 0.00 0.00 +0.025 C BRANCH 17 25 ATOM 23 C LIG 1 -3.402 -1.165 2.275 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -4.789 -0.792 2.295 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.540 -0.240 1.292 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -6.756 -0.017 1.751 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -6.809 -0.446 3.055 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -5.620 -0.904 3.368 0.00 0.00 +0.224 A ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.636 4.073 -0.486 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.953 4.383 -0.617 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.993 4.717 -1.498 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.216 4.676 0.660 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.258 -0.740 -0.650 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.001 -0.757 0.611 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.333 -0.883 1.372 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.090 -1.748 0.603 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.511 -3.183 0.759 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.552 -3.417 1.873 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.596 -1.886 2.071 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.177 -1.499 -0.428 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7