REMARK Name = BDB024633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.759 0.254 -0.407 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.630 -0.545 -0.149 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.830 -1.897 0.412 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.912 -1.851 1.943 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.787 -2.887 -0.096 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.394 -2.422 0.262 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.182 -0.987 -0.127 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.858 -0.510 -0.279 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.318 -1.201 -0.137 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.288 -0.348 -0.394 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.773 0.909 -0.663 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.607 0.810 -0.622 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.648 1.710 -0.838 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.960 1.237 -0.677 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.264 -0.088 -0.324 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.774 1.360 -0.934 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.536 2.120 -0.936 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -1.270 3.253 0.066 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -2.111 4.380 -0.211 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -1.865 4.926 -1.508 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -2.181 3.902 -2.591 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -1.383 2.617 -2.382 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 8.105 0.417 -0.242 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.922 -0.348 -0.003 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.735 -0.745 -0.397 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.179 -1.302 0.968 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.556 -1.947 0.879 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.701 -1.196 0.567 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -6.952 -1.810 0.483 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.076 -3.178 0.709 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.949 -3.936 1.020 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.697 -3.325 1.105 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -3.133 -0.266 2.078 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -2.959 -0.492 3.266 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.388 0.998 1.678 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -3.386 1.500 2.522 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7