REMARK Name = BDB040195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.419 0.497 -1.353 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.246 0.641 -0.145 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.172 0.738 0.994 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.681 0.666 -0.459 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.751 0.789 0.408 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.041 0.786 -0.139 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.205 0.652 -1.540 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.104 0.527 -2.411 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.837 0.538 -1.837 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.492 0.421 -2.484 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.118 0.394 -0.764 0.00 0.00 -0.036 A ATOM 12 C LIG 1 -2.728 0.469 -0.530 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -1.806 0.417 -1.575 0.00 0.00 +0.128 A ATOM 14 N LIG 1 -2.204 0.284 -2.859 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -3.528 0.186 -3.094 0.00 0.00 +0.113 A ATOM 16 C LIG 1 -4.494 0.240 -2.104 0.00 0.00 +0.024 A BRANCH 11 17 ATOM 17 C LIG 1 -5.197 0.458 0.447 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -4.912 1.551 1.554 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -5.804 2.513 0.751 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -6.523 1.273 0.194 0.00 0.00 +0.012 C BRANCH 17 21 ATOM 21 C LIG 1 -5.410 -0.946 1.054 0.00 0.00 +0.088 C BRANCH 21 24 ATOM 22 C LIG 1 -8.169 -2.114 1.917 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -7.524 -2.305 0.646 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.309 -1.814 0.236 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.083 -2.251 -0.988 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 -7.161 -3.002 -1.389 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -8.015 -3.030 -0.395 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 3.284 0.379 -3.897 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.627 1.346 -4.595 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.803 -0.807 -4.360 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.582 0.443 -4.303 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.256 0.904 0.755 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.986 -0.362 0.782 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.374 -1.085 1.159 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.277 -0.255 1.477 0.00 0.00 +0.017 C ATOM 36 C LIG 1 8.297 0.498 0.577 0.00 0.00 +0.022 C ATOM 37 C LIG 1 9.291 -0.650 0.850 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.073 -1.552 1.143 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.188 0.096 2.951 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8