REMARK Name = BDB001465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.284 -4.078 -1.442 0.00 0.00 +0.026 A ATOM 2 C LIG 1 -0.718 -3.124 -1.292 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.461 -1.910 -0.625 0.00 0.00 +0.059 A ATOM 4 C LIG 1 -1.575 -0.935 -0.621 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -1.855 -0.216 0.535 0.00 0.00 -0.275 N ATOM 6 C LIG 1 -1.080 -0.413 1.772 0.00 0.00 +0.194 C ATOM 7 C LIG 1 0.321 0.168 1.534 0.00 0.00 +0.245 C ATOM 8 N LIG 1 1.151 -0.433 0.584 0.00 0.00 -0.269 N ATOM 9 O LIG 1 0.697 1.137 2.206 0.00 0.00 -0.273 OA ATOM 10 O LIG 1 -2.215 -0.826 -1.664 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 0.820 -1.630 -0.120 0.00 0.00 +0.048 A ATOM 12 C LIG 1 1.819 -2.607 -0.293 0.00 0.00 +0.025 A ATOM 13 C LIG 1 1.555 -3.818 -0.941 0.00 0.00 +0.018 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -1.155 -1.809 2.389 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -0.122 -2.296 3.211 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -0.205 -3.565 3.792 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -1.331 -4.354 3.577 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -1.431 -5.916 4.290 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -2.381 -3.880 2.798 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -2.299 -2.611 2.218 0.00 0.00 +0.007 A ENDBRANCH 6 14 BRANCH 1 22 ATOM 21 C LIG 1 -0.221 -6.351 -2.667 0.00 0.00 +0.009 C ATOM 22 C LIG 1 0.010 -5.313 -2.108 0.00 0.00 -0.070 C ENDBRANCH 1 22 BRANCH 5 23 ATOM 23 C LIG 1 -2.755 0.957 0.482 0.00 0.00 +0.105 C ATOM 24 C LIG 1 -4.154 0.650 -0.073 0.00 0.00 +0.033 C BRANCH 23 25 ATOM 25 C LIG 1 -2.078 2.162 -0.165 0.00 0.00 -0.027 A ATOM 26 C LIG 1 -2.016 2.325 -1.558 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -1.356 3.419 -2.127 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.749 4.364 -1.306 0.00 0.00 +0.041 A ATOM 29 CL LIG 1 0.091 5.694 -2.007 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 -0.800 4.227 0.078 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -1.458 3.131 0.644 0.00 0.00 +0.007 A ENDBRANCH 23 25 ENDBRANCH 5 23 BRANCH 8 32 ATOM 32 C LIG 1 2.424 0.242 0.288 0.00 0.00 +0.114 C BRANCH 32 33 ATOM 33 C LIG 1 2.181 1.500 -0.555 0.00 0.00 +0.020 C BRANCH 33 34 ATOM 34 C LIG 1 3.483 2.207 -0.926 0.00 0.00 +0.013 C BRANCH 34 35 ATOM 35 C LIG 1 3.191 3.517 -1.657 0.00 0.00 +0.120 C BRANCH 35 36 ATOM 36 C LIG 1 4.449 4.224 -2.096 0.00 0.00 +0.305 C ATOM 37 O LIG 1 5.583 3.788 -1.977 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 4.187 5.425 -2.663 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 3.236 5.647 -2.688 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10