REMARK Name = BDB000357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.173 -0.014 0.729 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.869 1.381 0.768 0.00 0.00 -0.003 C BRANCH 2 3 ATOM 3 C LIG 1 0.105 2.547 1.141 0.00 0.00 -0.014 C ATOM 4 C LIG 1 -0.612 3.899 1.266 0.00 0.00 +0.007 C ATOM 5 C LIG 1 0.844 2.278 2.461 0.00 0.00 +0.007 C ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 -1.682 1.694 -0.518 0.00 0.00 +0.039 C BRANCH 6 7 ATOM 7 C LIG 1 -2.742 0.675 -0.882 0.00 0.00 -0.043 A ATOM 8 C LIG 1 -3.809 0.404 -0.011 0.00 0.00 +0.053 A ATOM 9 C LIG 1 -4.795 -0.530 -0.352 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -4.716 -1.212 -1.581 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -3.662 -0.931 -2.455 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -2.688 0.009 -2.110 0.00 0.00 +0.007 A BRANCH 10 13 ATOM 13 O LIG 1 -5.721 -2.113 -1.838 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -5.623 -2.879 -3.030 0.00 0.00 +0.277 C ENDBRANCH 10 13 BRANCH 9 15 ATOM 15 O LIG 1 -5.858 -0.860 0.452 0.00 0.00 -0.486 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.132 -0.015 1.571 0.00 0.00 +0.257 C BRANCH 16 17 ATOM 17 C LIG 1 -7.462 -0.446 2.198 0.00 0.00 +0.200 C BRANCH 17 18 ATOM 18 O LIG 1 -8.605 0.128 1.552 0.00 0.00 -0.377 OA BRANCH 18 19 ATOM 19 C LIG 1 -8.832 -0.386 0.240 0.00 0.00 +0.156 C ATOM 20 C LIG 1 -10.203 0.075 -0.217 0.00 0.00 +0.034 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 6 7 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 1.117 -0.158 -0.118 0.00 0.00 +0.080 C BRANCH 21 22 ATOM 22 N LIG 1 0.808 0.001 -1.546 0.00 0.00 -0.325 NA ATOM 23 H LIG 1 0.214 -0.800 -1.792 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 1.651 -0.141 -2.099 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 1.783 -1.543 0.155 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 0.913 -2.573 -0.342 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 1.321 -3.431 -0.131 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.163 -1.743 -0.493 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 4.231 -0.688 -0.156 0.00 0.00 +0.074 C ATOM 30 C LIG 1 4.488 -0.583 1.348 0.00 0.00 +0.017 C BRANCH 29 33 ATOM 31 N LIG 1 6.474 -0.001 -0.822 0.00 0.00 -0.315 N ATOM 32 H LIG 1 6.148 0.925 -0.579 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 5.540 -1.016 -0.880 0.00 0.00 +0.216 C ATOM 34 O LIG 1 5.744 -2.082 -1.449 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 7.729 -0.105 -1.538 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 8.777 0.870 -1.007 0.00 0.00 +0.018 C BRANCH 36 38 ATOM 37 C LIG 1 9.786 -0.703 0.734 0.00 0.00 +0.004 C ATOM 38 C LIG 1 9.162 0.657 0.460 0.00 0.00 -0.002 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 20