REMARK Name = BDB026914 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.059 -0.164 0.563 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.045 -1.137 1.732 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.488 -2.459 1.560 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.480 -3.356 2.629 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.040 -2.942 3.884 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.615 -1.629 4.075 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.623 -0.730 3.008 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.304 0.569 0.364 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.350 1.805 0.378 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 5.669 0.581 -0.159 0.00 0.00 -0.037 A ATOM 11 C LIG 1 5.093 -0.684 -0.367 0.00 0.00 +0.030 A ATOM 12 C LIG 1 3.702 -0.802 -0.258 0.00 0.00 +0.047 A ATOM 13 C LIG 1 2.870 0.273 0.052 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.517 -0.215 0.082 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.584 -1.563 -0.226 0.00 0.00 +0.095 A ATOM 16 C LIG 1 3.468 1.532 0.269 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.898 -1.905 -0.412 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.236 -2.832 -0.634 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 4.857 1.673 0.162 0.00 0.00 +0.005 A BRANCH 10 20 ATOM 20 C LIG 1 7.166 0.753 -0.288 0.00 0.00 +0.131 C BRANCH 20 24 ATOM 21 C LIG 1 7.509 1.117 -4.047 0.00 0.00 +0.128 C ATOM 22 N LIG 1 7.191 1.326 -2.658 0.00 0.00 -0.318 N ATOM 23 H LIG 1 6.341 1.832 -2.440 0.00 0.00 +0.148 HD ATOM 24 C LIG 1 7.682 0.472 -1.689 0.00 0.00 +0.217 C ATOM 25 O LIG 1 8.491 -0.422 -1.923 0.00 0.00 -0.275 OA ENDBRANCH 20 24 ENDBRANCH 10 20 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.131 0.848 0.765 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -1.825 1.722 0.326 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.415 0.419 0.216 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.492 1.476 0.493 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.833 1.065 -0.066 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.226 1.475 -1.347 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.460 1.077 -1.869 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -8.311 0.262 -1.117 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -7.922 -0.154 0.160 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.689 0.244 0.682 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -9.575 -0.148 -1.654 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -10.597 -0.483 -2.091 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10