REMARK Name = BDB005130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.174 -0.767 -2.250 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.429 -1.687 -1.512 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.544 -2.495 -2.126 0.00 0.00 -0.029 A ATOM 4 C LIG 1 0.761 -2.371 -3.505 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.012 -1.465 -4.253 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.950 -0.669 -3.628 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.485 0.233 -0.359 0.00 0.00 +0.255 C ATOM 8 N LIG 1 -2.154 0.078 -1.694 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.626 0.701 -2.338 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.956 -0.315 0.602 0.00 0.00 -0.270 OA BRANCH 7 12 ATOM 11 C LIG 1 -4.671 0.803 0.708 0.00 0.00 +0.136 A ATOM 12 C LIG 1 -3.600 1.191 -0.111 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -3.575 2.491 -0.650 0.00 0.00 +0.136 A ATOM 14 C LIG 1 -4.636 3.368 -0.388 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.705 2.966 0.417 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -5.727 1.683 0.959 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 -4.430 -0.531 2.569 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -4.772 -0.480 1.183 0.00 0.00 -0.494 OA ENDBRANCH 11 18 BRANCH 13 19 ATOM 19 O LIG 1 -2.523 2.828 -1.464 0.00 0.00 -0.494 OA ATOM 20 C LIG 1 -2.126 4.197 -1.429 0.00 0.00 +0.277 C ENDBRANCH 13 19 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 1.374 -3.454 -1.298 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 2.654 -2.850 -0.926 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.980 -2.244 -1.674 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 2.670 -2.105 0.275 0.00 0.00 +0.130 A ATOM 25 C LIG 1 3.840 -1.408 0.646 0.00 0.00 +0.041 A ATOM 26 C LIG 1 3.772 -0.643 1.828 0.00 0.00 +0.088 A ATOM 27 C LIG 1 4.925 0.078 2.206 0.00 0.00 +0.063 A ATOM 28 C LIG 1 6.105 0.028 1.438 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.167 -0.740 0.288 0.00 0.00 +0.002 A ATOM 30 N LIG 1 2.635 -0.611 2.558 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 1.597 -1.341 2.133 0.00 0.00 +0.223 A ATOM 32 C LIG 1 5.042 -1.454 -0.104 0.00 0.00 +0.013 A ATOM 33 N LIG 1 1.575 -2.106 1.045 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 4.989 0.940 3.428 0.00 0.00 +0.244 C ATOM 35 O LIG 1 5.998 1.577 3.713 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 3.892 1.011 4.234 0.00 0.00 -0.325 N ATOM 37 H LIG 1 3.915 1.606 5.048 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 3.039 0.511 3.994 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 8