REMARK Name = BDB058033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.490 -0.755 -0.490 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.522 -0.653 0.451 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -2.854 -0.787 0.051 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.175 -0.996 -1.297 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -2.136 -1.103 -2.233 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.800 -0.976 -1.837 0.00 0.00 +0.013 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.560 -1.166 -1.754 0.00 0.00 +0.058 C ATOM 8 C LIG 1 -5.604 -0.430 -1.351 0.00 0.00 +0.176 C ATOM 9 C LIG 1 -6.988 -0.645 -1.846 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -7.398 -1.471 -2.630 0.00 0.00 -0.283 OA ATOM 11 C LIG 1 -7.749 0.378 -1.140 0.00 0.00 +0.068 A ATOM 12 C LIG 1 -6.857 1.087 -0.332 0.00 0.00 +0.152 A ATOM 13 C LIG 1 -7.302 2.124 0.470 0.00 0.00 +0.079 A ATOM 14 C LIG 1 -8.678 2.422 0.429 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -9.566 1.699 -0.394 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -9.101 0.656 -1.196 0.00 0.00 +0.015 A ATOM 17 O LIG 1 -5.564 0.623 -0.445 0.00 0.00 -0.451 OA BRANCH 13 18 ATOM 18 C LIG 1 -6.426 2.928 1.362 0.00 0.00 +0.245 C ATOM 19 O LIG 1 -6.891 3.793 2.096 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -5.084 2.680 1.349 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -4.498 3.231 1.965 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -4.649 1.966 0.782 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 4 7 BRANCH 1 25 ATOM 23 N LIG 1 1.862 -1.339 -0.701 0.00 0.00 -0.306 N ATOM 24 H LIG 1 1.525 -2.071 -1.314 0.00 0.00 +0.150 HD ATOM 25 C LIG 1 0.913 -0.602 -0.020 0.00 0.00 +0.244 C ATOM 26 O LIG 1 1.154 0.125 0.938 0.00 0.00 -0.270 OA BRANCH 23 28 ATOM 27 C LIG 1 3.975 -2.365 -1.325 0.00 0.00 +0.032 C ATOM 28 C LIG 1 3.298 -1.412 -0.316 0.00 0.00 +0.036 C ATOM 29 C LIG 1 3.419 -2.026 1.092 0.00 0.00 +0.032 C BRANCH 28 30 ATOM 30 C LIG 1 3.945 0.003 -0.404 0.00 0.00 +0.099 C BRANCH 30 31 ATOM 31 C LIG 1 5.328 0.099 0.155 0.00 0.00 +0.110 A ATOM 32 N LIG 1 5.640 0.986 1.160 0.00 0.00 -0.342 N ATOM 33 H LIG 1 4.998 1.641 1.589 0.00 0.00 +0.167 HD ATOM 34 C LIG 1 6.977 0.868 1.440 0.00 0.00 +0.066 A ATOM 35 C LIG 1 7.417 -0.138 0.585 0.00 0.00 +0.089 A ATOM 36 C LIG 1 8.765 -0.520 0.614 0.00 0.00 +0.030 A ATOM 37 C LIG 1 9.629 0.129 1.507 0.00 0.00 +0.002 A ATOM 38 C LIG 1 9.160 1.143 2.349 0.00 0.00 +0.002 A ATOM 39 C LIG 1 7.816 1.539 2.335 0.00 0.00 +0.028 A ATOM 40 N LIG 1 6.388 -0.601 -0.199 0.00 0.00 -0.232 NA ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 25 TORSDOF 6