REMARK Name = BDB063166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.159 -0.606 -0.157 0.00 0.00 +0.102 A ATOM 2 C LIG 1 -0.657 0.783 0.183 0.00 0.00 +0.264 A ATOM 3 O LIG 1 0.127 1.697 0.434 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -2.017 0.945 0.193 0.00 0.00 -0.307 N ATOM 5 C LIG 1 -2.784 2.157 0.482 0.00 0.00 +0.130 C ATOM 6 C LIG 1 -4.281 1.772 0.349 0.00 0.00 +0.059 C ATOM 7 C LIG 1 -4.211 0.321 -0.017 0.00 0.00 -0.022 A ATOM 8 C LIG 1 -5.209 -0.598 -0.274 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -4.833 -1.913 -0.599 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -3.475 -2.298 -0.664 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -2.478 -1.364 -0.404 0.00 0.00 -0.000 A ATOM 12 C LIG 1 -2.892 -0.088 -0.090 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -1.036 -1.601 -0.431 0.00 0.00 +0.028 A ENDROOT BRANCH 1 15 ATOM 14 O LIG 1 1.651 -2.101 -0.494 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 1.304 -0.956 -0.212 0.00 0.00 +0.254 C ATOM 16 N LIG 1 2.158 0.089 0.073 0.00 0.00 -0.281 N ATOM 17 H LIG 1 1.718 0.985 0.290 0.00 0.00 +0.155 HD BRANCH 16 18 ATOM 18 C LIG 1 3.566 0.081 0.104 0.00 0.00 +0.034 A ATOM 19 C LIG 1 4.199 1.291 0.426 0.00 0.00 +0.026 A ATOM 20 C LIG 1 5.593 1.374 0.480 0.00 0.00 +0.040 A ATOM 21 C LIG 1 6.354 0.245 0.211 0.00 0.00 +0.124 A ATOM 22 F LIG 1 7.691 0.322 0.262 0.00 0.00 -0.205 F ATOM 23 C LIG 1 5.747 -0.961 -0.109 0.00 0.00 +0.040 A ATOM 24 C LIG 1 4.352 -1.044 -0.163 0.00 0.00 +0.026 A ENDBRANCH 16 18 ENDBRANCH 1 15 TORSDOF 2