REMARK Name = BDB051690 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.755 -2.747 0.710 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -1.396 -2.721 0.357 0.00 0.00 +0.039 A ATOM 3 C LIG 1 -0.474 -3.345 1.216 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.885 -4.008 2.373 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.283 -4.496 3.012 0.00 0.00 +0.031 A ATOM 6 C LIG 1 1.379 -4.132 2.256 0.00 0.00 +0.017 A ATOM 7 C LIG 1 2.821 -4.396 2.511 0.00 0.00 +0.063 C ATOM 8 C LIG 1 -2.260 -4.070 2.680 0.00 0.00 +0.011 A ATOM 9 N LIG 1 0.908 -3.441 1.157 0.00 0.00 -0.340 N ATOM 10 C LIG 1 -3.186 -3.436 1.842 0.00 0.00 +0.014 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 -3.306 -0.828 -0.648 0.00 0.00 -0.305 N ATOM 12 H LIG 1 -2.443 -0.442 -0.288 0.00 0.00 +0.150 HD ATOM 13 C LIG 1 -3.758 -2.011 -0.109 0.00 0.00 +0.245 C ATOM 14 O LIG 1 -4.901 -2.433 -0.229 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -4.174 0.093 -1.371 0.00 0.00 +0.103 C BRANCH 15 16 ATOM 16 C LIG 1 -3.537 1.474 -1.331 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -2.300 1.728 -1.949 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -1.697 2.982 -1.846 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -2.322 4.000 -1.131 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.551 3.767 -0.518 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.154 2.511 -0.613 0.00 0.00 +0.005 A ENDBRANCH 15 16 BRANCH 15 23 ATOM 22 C LIG 1 -5.465 0.441 -3.548 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -4.446 -0.411 -2.802 0.00 0.00 +0.024 C ENDBRANCH 15 23 ENDBRANCH 11 15 ENDBRANCH 1 13 BRANCH 9 24 ATOM 24 C LIG 1 1.727 -2.947 0.049 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 2.326 -1.580 0.295 0.00 0.00 -0.028 A ATOM 26 C LIG 1 1.546 -0.490 0.704 0.00 0.00 +0.006 A ATOM 27 C LIG 1 2.106 0.784 0.845 0.00 0.00 +0.009 A ATOM 28 C LIG 1 3.462 1.008 0.574 0.00 0.00 -0.017 A ATOM 29 C LIG 1 4.247 -0.086 0.180 0.00 0.00 +0.009 A ATOM 30 C LIG 1 3.686 -1.360 0.035 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 4.046 2.355 0.687 0.00 0.00 -0.004 A ATOM 32 C LIG 1 3.612 3.460 -0.078 0.00 0.00 +0.067 A ATOM 33 C LIG 1 4.173 4.733 0.116 0.00 0.00 +0.015 A ATOM 34 C LIG 1 5.189 4.919 1.051 0.00 0.00 +0.001 A ATOM 35 C LIG 1 5.643 3.839 1.802 0.00 0.00 +0.001 A ATOM 36 C LIG 1 5.076 2.574 1.624 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 2.546 3.376 -1.107 0.00 0.00 +0.337 C ATOM 38 O LIG 1 1.627 4.175 -1.170 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 2.743 2.401 -2.019 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 3.534 1.854 -1.856 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 9