REMARK Name = BDB025075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.668 2.347 -0.394 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.042 1.093 -0.499 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.875 -0.020 -1.004 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.924 -0.453 0.034 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.092 -1.270 -1.435 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.798 -0.882 -2.117 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.990 -0.096 -1.127 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.599 -0.281 -0.981 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.775 -1.151 -1.644 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -0.433 -0.956 -1.155 0.00 0.00 +0.135 A ATOM 11 N LIG 1 -0.423 0.035 -0.196 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.882 0.470 -0.058 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.503 1.412 0.767 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.883 1.598 0.609 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.632 0.882 -0.335 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.876 2.517 -0.545 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.581 0.535 0.531 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.551 0.177 2.030 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.365 1.155 2.899 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.593 1.662 2.141 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.208 2.441 0.880 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.858 2.024 0.288 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.777 0.522 4.218 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.763 -0.673 4.462 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.168 1.434 5.139 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.125 2.360 4.837 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -1.689 -1.823 -1.667 0.00 0.00 +0.094 C ATOM 28 C LIG 1 -1.382 -2.728 -2.864 0.00 0.00 +0.036 C ATOM 29 C LIG 1 -2.199 -1.498 -3.060 0.00 0.00 +0.036 C BRANCH 27 30 ATOM 30 N LIG 1 -2.515 -2.425 -0.587 0.00 0.00 -0.305 N ATOM 31 C LIG 1 -1.938 -3.583 0.092 0.00 0.00 +0.131 C BRANCH 30 32 ATOM 32 C LIG 1 -3.915 -2.309 -0.470 0.00 0.00 +0.122 A ATOM 33 N LIG 1 -4.592 -3.255 0.223 0.00 0.00 -0.240 NA ATOM 34 C LIG 1 -5.931 -3.133 0.372 0.00 0.00 +0.113 A ATOM 35 C LIG 1 -6.668 -2.084 -0.136 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.987 -1.102 -0.833 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.605 -1.214 -0.996 0.00 0.00 +0.044 A ENDBRANCH 30 32 ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 39 ATOM 38 C LIG 1 5.445 4.672 -0.136 0.00 0.00 +0.282 C ATOM 39 O LIG 1 4.817 3.391 -0.177 0.00 0.00 -0.453 OA ENDBRANCH 1 39 TORSDOF 7