REMARK Name = BDB047579 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.788 3.583 0.736 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.562 2.435 0.954 0.00 0.00 +0.017 A ATOM 3 C LIG 1 3.884 2.377 0.494 0.00 0.00 -0.041 A ATOM 4 C LIG 1 4.419 3.499 -0.158 0.00 0.00 +0.004 A ATOM 5 C LIG 1 3.656 4.655 -0.341 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.339 4.702 0.111 0.00 0.00 +0.013 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -2.217 0.333 0.315 0.00 0.00 +0.078 C ATOM 8 C LIG 1 -2.288 1.107 1.639 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -1.778 2.539 1.491 0.00 0.00 +0.109 C ATOM 10 N LIG 1 -0.458 2.570 0.875 0.00 0.00 -0.297 N ATOM 11 C LIG 1 0.387 3.632 1.213 0.00 0.00 +0.247 C ATOM 12 O LIG 1 0.045 4.577 1.919 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -0.361 1.883 -0.413 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -0.809 0.437 -0.287 0.00 0.00 +0.032 C BRANCH 7 16 ATOM 15 O LIG 1 -1.819 -2.058 0.298 0.00 0.00 -0.276 OA ATOM 16 C LIG 1 -2.593 -1.131 0.520 0.00 0.00 +0.216 C ATOM 17 N LIG 1 -3.885 -1.317 0.967 0.00 0.00 -0.312 N ATOM 18 H LIG 1 -4.529 -0.539 0.903 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 -4.441 -2.646 1.124 0.00 0.00 +0.073 C ATOM 20 C LIG 1 -5.689 -2.651 2.001 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -6.383 -3.940 1.595 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -6.219 -3.970 0.083 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -4.892 -3.265 -0.205 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 3 24 ATOM 24 C LIG 1 4.726 1.139 0.700 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 5.049 0.426 -0.608 0.00 0.00 +0.074 A ATOM 26 C LIG 1 4.103 -0.572 -1.175 0.00 0.00 +0.011 A ATOM 27 C LIG 1 4.447 -1.148 -2.397 0.00 0.00 +0.050 A ATOM 28 C LIG 1 3.609 -2.093 -3.004 0.00 0.00 +0.014 A ATOM 29 C LIG 1 2.422 -2.470 -2.379 0.00 0.00 +0.001 A ATOM 30 C LIG 1 2.075 -1.905 -1.153 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.712 -0.766 -3.043 0.00 0.00 +0.272 A ATOM 32 O LIG 1 6.054 -1.248 -4.117 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 6.480 0.151 -2.371 0.00 0.00 -0.242 N ATOM 34 H LIG 1 7.357 0.428 -2.801 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 2.911 -0.957 -0.551 0.00 0.00 +0.010 A ATOM 36 N LIG 1 6.167 0.749 -1.192 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 5