REMARK Name = BDB057116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.312 -1.231 -0.534 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -1.674 -0.021 -0.261 0.00 0.00 +0.091 A ATOM 3 C LIG 1 -0.274 0.045 -0.200 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.508 -1.091 -0.457 0.00 0.00 +0.011 A ATOM 5 C LIG 1 -0.147 -2.300 -0.742 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -1.542 -2.369 -0.768 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -3.664 -1.429 -0.611 0.00 0.00 -0.487 OA BRANCH 7 8 ATOM 8 C LIG 1 -4.500 -0.289 -0.400 0.00 0.00 +0.264 C BRANCH 8 12 ATOM 9 C LIG 1 -8.693 -1.372 -0.559 0.00 0.00 +0.120 A ATOM 10 C LIG 1 -8.249 -0.154 -1.078 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -6.895 0.189 -1.038 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -5.956 -0.689 -0.482 0.00 0.00 -0.010 A ATOM 13 C LIG 1 -6.409 -1.905 0.048 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -7.766 -2.247 0.006 0.00 0.00 +0.046 A BRANCH 9 16 ATOM 15 C LIG 1 -10.536 -2.821 -0.175 0.00 0.00 +0.277 C ATOM 16 O LIG 1 -10.040 -1.578 -0.658 0.00 0.00 -0.495 OA ENDBRANCH 9 16 ENDBRANCH 8 12 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 O LIG 1 0.370 1.235 0.029 0.00 0.00 -0.487 OA BRANCH 17 18 ATOM 18 C LIG 1 -0.054 1.913 1.223 0.00 0.00 +0.264 C BRANCH 18 19 ATOM 19 C LIG 1 -0.972 3.078 0.926 0.00 0.00 -0.010 A ATOM 20 C LIG 1 -0.813 3.854 -0.229 0.00 0.00 +0.010 A ATOM 21 C LIG 1 -1.663 4.936 -0.476 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -2.677 5.269 0.425 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -2.831 4.510 1.585 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -1.981 3.426 1.836 0.00 0.00 +0.010 A BRANCH 22 25 ATOM 25 O LIG 1 -3.436 6.347 0.060 0.00 0.00 -0.495 OA ATOM 26 C LIG 1 -4.498 6.711 0.932 0.00 0.00 +0.277 C ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 BRANCH 4 27 ATOM 27 C LIG 1 2.020 -1.035 -0.479 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 N LIG 1 2.570 -2.077 0.387 0.00 0.00 -0.340 N ATOM 29 H LIG 1 2.064 -2.155 1.264 0.00 0.00 +0.146 HD BRANCH 28 30 ATOM 30 C LIG 1 3.954 -2.168 0.569 0.00 0.00 +0.031 A ATOM 31 C LIG 1 4.895 -1.637 -0.322 0.00 0.00 +0.068 A ATOM 32 C LIG 1 6.276 -1.813 -0.138 0.00 0.00 +0.124 A ATOM 33 C LIG 1 6.726 -2.575 0.933 0.00 0.00 +0.046 A ATOM 34 C LIG 1 5.806 -3.149 1.811 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.436 -2.953 1.622 0.00 0.00 +0.023 A BRANCH 32 36 ATOM 36 O LIG 1 7.042 -1.209 -1.092 0.00 0.00 -0.475 OA BRANCH 36 37 ATOM 37 C LIG 1 8.443 -0.971 -0.921 0.00 0.00 +0.200 C ATOM 38 C LIG 1 8.704 -0.046 0.279 0.00 0.00 +0.067 C ATOM 39 C LIG 1 8.844 -0.207 -2.199 0.00 0.00 +0.067 C BRANCH 37 40 ATOM 40 C LIG 1 9.332 -2.229 -0.908 0.00 0.00 +0.348 C ATOM 41 O LIG 1 9.024 -3.360 -1.251 0.00 0.00 -0.247 OA BRANCH 40 42 ATOM 42 O LIG 1 10.598 -1.994 -0.495 0.00 0.00 -0.478 OA ATOM 43 H LIG 1 11.032 -2.870 -0.577 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 37 40 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 15