REMARK Name = BDB053757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.013 0.906 -0.470 0.00 0.00 +0.125 A ATOM 2 C LIG 1 -0.003 2.100 0.291 0.00 0.00 +0.105 A ATOM 3 C LIG 1 -1.326 2.496 0.452 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.641 3.652 1.183 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -0.573 4.375 1.702 0.00 0.00 +0.022 A ATOM 6 C LIG 1 0.715 3.921 1.477 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -2.122 1.566 -0.206 0.00 0.00 -0.278 N ATOM 8 N LIG 1 1.042 2.809 0.791 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -1.310 0.573 -0.751 0.00 0.00 +0.221 A ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 4.515 -0.930 0.384 0.00 0.00 +0.082 C ATOM 11 N LIG 1 4.166 -1.521 1.697 0.00 0.00 -0.310 NA ATOM 12 H LIG 1 4.389 -2.517 1.728 0.00 0.00 +0.122 HD ATOM 13 C LIG 1 2.751 -1.334 2.056 0.00 0.00 +0.100 C ATOM 14 C LIG 1 2.072 -0.128 1.384 0.00 0.00 +0.123 C ATOM 15 N LIG 1 2.154 -0.221 -0.077 0.00 0.00 -0.295 N ATOM 16 C LIG 1 1.163 0.172 -0.975 0.00 0.00 +0.254 C ATOM 17 O LIG 1 1.241 -0.118 -2.169 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.331 -0.903 -0.612 0.00 0.00 +0.127 C BRANCH 10 19 ATOM 19 C LIG 1 5.705 -1.655 -0.254 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 6.978 -1.458 0.525 0.00 0.00 +0.308 C ATOM 21 O LIG 1 7.563 -2.357 1.115 0.00 0.00 -0.251 OA BRANCH 20 23 ATOM 22 C LIG 1 8.601 0.099 1.165 0.00 0.00 +0.280 C ATOM 23 O LIG 1 7.398 -0.166 0.443 0.00 0.00 -0.468 OA ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 10 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 -3.520 1.726 -0.369 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -4.406 0.836 0.240 0.00 0.00 +0.026 A ATOM 26 C LIG 1 -5.780 1.033 0.101 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -6.263 2.122 -0.626 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.374 3.025 -1.211 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -3.998 2.836 -1.077 0.00 0.00 +0.026 A ENDBRANCH 7 24 BRANCH 9 30 ATOM 30 O LIG 1 -1.737 -0.400 -1.568 0.00 0.00 -0.438 OA BRANCH 30 31 ATOM 31 C LIG 1 -2.618 -1.386 -1.184 0.00 0.00 +0.136 A ATOM 32 C LIG 1 -2.432 -2.201 -0.051 0.00 0.00 -0.008 A ATOM 33 C LIG 1 -1.236 -2.090 0.848 0.00 0.00 +0.047 C ATOM 34 C LIG 1 -3.404 -3.170 0.248 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -4.510 -3.356 -0.580 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.656 -2.586 -1.730 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -3.707 -1.608 -2.053 0.00 0.00 -0.008 A ATOM 38 C LIG 1 -3.877 -0.791 -3.305 0.00 0.00 +0.047 C ENDBRANCH 30 31 ENDBRANCH 9 30 TORSDOF 7