REMARK Name = BDB053765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.326 -0.075 0.921 0.00 0.00 +0.221 A ATOM 2 N LIG 1 0.557 -0.934 0.265 0.00 0.00 -0.278 N ATOM 3 C LIG 1 1.624 -0.185 -0.233 0.00 0.00 +0.080 A ATOM 4 C LIG 1 1.449 1.124 0.216 0.00 0.00 +0.105 A ATOM 5 N LIG 1 2.339 2.115 -0.039 0.00 0.00 -0.249 NA ATOM 6 C LIG 1 3.426 1.748 -0.749 0.00 0.00 +0.157 A ATOM 7 C LIG 1 3.705 0.473 -1.221 0.00 0.00 +0.141 A ATOM 8 C LIG 1 2.787 -0.538 -0.950 0.00 0.00 +0.075 A ATOM 9 C LIG 1 0.246 1.190 0.956 0.00 0.00 +0.125 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -0.336 2.318 1.667 0.00 0.00 +0.254 C ATOM 11 N LIG 1 -0.509 3.525 0.994 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -0.329 3.743 -0.446 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -1.390 4.712 -1.001 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -1.434 6.031 -0.343 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 -2.407 6.333 -0.290 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -0.856 5.996 1.012 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -1.032 4.660 1.751 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -0.690 2.191 2.840 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 0.458 -2.352 0.181 0.00 0.00 +0.050 A ATOM 20 C LIG 1 0.164 -3.091 1.332 0.00 0.00 +0.026 A ATOM 21 C LIG 1 0.086 -4.482 1.262 0.00 0.00 +0.002 A ATOM 22 C LIG 1 0.301 -5.135 0.048 0.00 0.00 +0.000 A ATOM 23 C LIG 1 0.594 -4.398 -1.099 0.00 0.00 +0.002 A ATOM 24 C LIG 1 0.676 -3.006 -1.037 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 O LIG 1 -1.517 -0.431 1.424 0.00 0.00 -0.438 OA BRANCH 25 28 ATOM 26 C LIG 1 -2.920 -2.382 2.914 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -3.151 -2.143 1.446 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -2.461 -1.151 0.717 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -2.805 -0.896 -0.627 0.00 0.00 -0.008 A ATOM 30 C LIG 1 -2.240 0.242 -1.427 0.00 0.00 +0.047 C ATOM 31 C LIG 1 -3.745 -1.731 -1.255 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -4.378 -2.755 -0.555 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.096 -2.948 0.792 0.00 0.00 +0.007 A ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 7 34 ATOM 34 O LIG 1 4.880 0.343 -1.904 0.00 0.00 -0.479 OA BRANCH 34 35 ATOM 35 C LIG 1 5.235 -0.940 -2.395 0.00 0.00 +0.349 C BRANCH 35 36 ATOM 36 C LIG 1 5.724 -1.935 -1.355 0.00 0.00 +0.343 C ATOM 37 O LIG 1 5.459 -3.127 -1.332 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 6.542 -1.396 -0.430 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 6.763 -2.137 0.172 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 8