REMARK Name = BDB004940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.014 2.826 -1.544 0.00 0.00 -0.026 A ATOM 2 C LIG 1 1.720 2.408 -1.181 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.790 1.998 -2.140 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.159 2.016 -3.490 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.436 2.426 -3.873 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.358 2.823 -2.906 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.510 1.542 -1.837 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -1.082 1.298 -2.634 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.103 1.445 -0.590 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -0.632 1.798 0.484 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -2.480 0.874 -0.598 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.842 -0.166 -1.463 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -4.144 -0.671 -1.436 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -5.095 -0.160 -0.538 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -4.719 0.873 0.333 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -3.418 1.381 0.308 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 C LIG 1 -6.511 -0.704 -0.521 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 -6.563 -2.171 -0.388 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 -7.937 -2.670 -0.551 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -8.595 -2.549 0.815 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -7.443 -2.530 1.809 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -6.184 -2.626 0.960 0.00 0.00 +0.085 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 3.545 3.976 0.736 0.00 0.00 +0.033 C ATOM 24 C LIG 1 4.052 3.253 -0.515 0.00 0.00 +0.099 C BRANCH 24 25 ATOM 25 N LIG 1 5.017 2.179 -0.224 0.00 0.00 -0.322 N ATOM 26 H LIG 1 5.405 1.831 -1.096 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 4.642 1.060 0.544 0.00 0.00 +0.130 A ATOM 28 C LIG 1 5.590 0.045 0.798 0.00 0.00 +0.041 A ATOM 29 C LIG 1 5.146 -1.068 1.540 0.00 0.00 +0.088 A ATOM 30 C LIG 1 6.075 -2.100 1.788 0.00 0.00 +0.063 A ATOM 31 C LIG 1 7.403 -2.019 1.323 0.00 0.00 +0.015 A ATOM 32 C LIG 1 7.835 -0.913 0.610 0.00 0.00 +0.002 A ATOM 33 N LIG 1 3.873 -1.126 1.991 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 3.069 -0.092 1.723 0.00 0.00 +0.223 A ATOM 35 C LIG 1 6.935 0.112 0.351 0.00 0.00 +0.013 A ATOM 36 N LIG 1 3.402 0.994 1.033 0.00 0.00 -0.220 NA BRANCH 30 37 ATOM 37 C LIG 1 5.738 -3.344 2.551 0.00 0.00 +0.244 C ATOM 38 O LIG 1 6.573 -4.218 2.757 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 4.467 -3.495 3.021 0.00 0.00 -0.325 N ATOM 40 H LIG 1 3.771 -2.768 2.877 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 4.233 -4.319 3.554 0.00 0.00 +0.145 HD ENDBRANCH 30 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8