REMARK Name = BDB004857 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.186 1.430 -1.697 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.127 0.690 -1.933 0.00 0.00 -0.025 A ATOM 3 C LIG 1 -1.174 0.673 -0.995 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.376 -0.007 -1.248 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.525 -0.690 -2.454 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.492 -0.699 -3.391 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.303 -0.018 -3.133 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -3.362 0.035 -0.240 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -3.115 0.556 0.590 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -4.646 -0.477 -0.299 0.00 0.00 +0.248 C ATOM 11 O LIG 1 -5.192 -0.990 -1.268 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -5.433 -0.329 0.958 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -4.839 -0.468 2.220 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -5.612 -0.322 3.374 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.976 -0.046 3.272 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.574 0.075 2.017 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.806 -0.072 0.861 0.00 0.00 +0.013 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 N LIG 1 2.297 0.484 -1.520 0.00 0.00 -0.322 N ATOM 19 H LIG 1 3.200 0.913 -1.690 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 2.382 -0.346 -0.392 0.00 0.00 +0.130 A ATOM 21 C LIG 1 3.382 -1.344 -0.346 0.00 0.00 +0.041 A ATOM 22 C LIG 1 3.443 -2.130 0.822 0.00 0.00 +0.088 A ATOM 23 C LIG 1 4.445 -3.121 0.891 0.00 0.00 +0.063 A ATOM 24 C LIG 1 5.346 -3.329 -0.172 0.00 0.00 +0.015 A ATOM 25 C LIG 1 5.265 -2.564 -1.324 0.00 0.00 +0.002 A ATOM 26 N LIG 1 2.562 -1.927 1.826 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 1.638 -0.974 1.664 0.00 0.00 +0.223 A ATOM 28 C LIG 1 4.289 -1.581 -1.410 0.00 0.00 +0.013 A ATOM 29 N LIG 1 1.509 -0.175 0.608 0.00 0.00 -0.220 NA BRANCH 23 30 ATOM 30 C LIG 1 4.633 -4.019 2.075 0.00 0.00 +0.244 C ATOM 31 O LIG 1 5.520 -4.865 2.105 0.00 0.00 -0.270 OA ATOM 32 N LIG 1 3.791 -3.880 3.137 0.00 0.00 -0.325 N ATOM 33 H LIG 1 3.041 -3.194 3.121 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 3.899 -4.491 3.933 0.00 0.00 +0.145 HD ENDBRANCH 23 30 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 35 ATOM 35 C LIG 1 1.155 2.578 -0.669 0.00 0.00 +0.055 C BRANCH 35 36 ATOM 36 C LIG 1 2.419 3.435 -0.704 0.00 0.00 +0.161 C BRANCH 36 38 ATOM 37 C LIG 1 1.646 5.639 -0.236 0.00 0.00 +0.193 C ATOM 38 O LIG 1 2.348 4.500 0.245 0.00 0.00 -0.383 OA ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 9