REMARK Name = BDB007687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.402 0.993 -1.012 0.00 0.00 +0.244 C ATOM 2 N LIG 1 1.682 0.518 -0.830 0.00 0.00 -0.309 N ATOM 3 H LIG 1 1.808 -0.430 -0.492 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.135 1.948 -1.733 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.058 -0.328 -0.199 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -1.980 0.317 -0.825 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -0.681 0.259 -0.300 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -0.442 -0.459 0.874 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.491 -1.138 1.488 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -2.780 -1.085 0.945 0.00 0.00 +0.023 A BRANCH 5 11 ATOM 11 N LIG 1 -4.307 -0.281 -0.820 0.00 0.00 -0.341 N ATOM 12 H LIG 1 -4.399 0.539 -1.417 0.00 0.00 +0.146 HD BRANCH 11 18 ATOM 13 C LIG 1 -10.740 -0.329 0.036 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -9.639 0.110 0.968 0.00 0.00 +0.212 C ATOM 15 N LIG 1 -8.325 -0.125 0.560 0.00 0.00 -0.302 N ATOM 16 C LIG 1 -7.272 0.181 1.526 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -5.939 0.497 0.859 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -5.545 -0.616 -0.113 0.00 0.00 +0.073 C ATOM 19 C LIG 1 -6.659 -0.796 -1.150 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -7.988 -1.104 -0.474 0.00 0.00 +0.109 C ATOM 21 O LIG 1 -9.917 0.662 2.033 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 C LIG 1 2.792 1.033 -1.614 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 4.152 0.677 -0.987 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 4.178 -0.746 -0.801 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 5.113 -1.013 -0.859 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 4.351 1.426 0.354 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 5.662 1.438 1.017 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 6.199 0.144 1.434 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.134 -0.509 0.439 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.754 0.235 -0.579 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.620 -0.404 -1.478 0.00 0.00 +0.004 A ATOM 32 C LIG 1 8.886 -1.767 -1.354 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.288 -2.503 -0.335 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.458 1.704 -0.746 0.00 0.00 +0.051 C ATOM 35 C LIG 1 7.421 -1.878 0.560 0.00 0.00 +0.005 A ATOM 36 C LIG 1 6.684 2.303 0.434 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8