REMARK Name = BDB027153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.192 -0.387 0.387 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.195 -1.225 -0.887 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.180 -0.706 -2.135 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.171 -1.512 -3.276 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.204 -2.850 -3.186 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.567 -3.388 -1.954 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.558 -2.583 -0.813 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 0.990 -0.663 1.255 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 1.004 -1.665 1.445 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 2.286 -0.286 0.676 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 3.424 -0.731 1.609 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 7.282 0.305 -0.040 0.00 0.00 +0.037 A ATOM 13 C LIG 1 6.747 -0.971 -0.246 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.501 -1.308 0.288 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.781 -0.377 1.047 0.00 0.00 -0.046 A ATOM 16 C LIG 1 5.325 0.897 1.260 0.00 0.00 +0.004 A ATOM 17 C LIG 1 6.571 1.237 0.725 0.00 0.00 +0.013 A BRANCH 12 21 ATOM 18 N LIG 1 8.913 1.934 -0.844 0.00 0.00 -0.325 N ATOM 19 H LIG 1 8.197 2.646 -0.871 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 9.759 2.108 -1.372 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 8.610 0.617 -0.633 0.00 0.00 +0.242 C ATOM 22 O LIG 1 9.395 -0.264 -0.960 0.00 0.00 -0.270 OA ENDBRANCH 12 21 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 C LIG 1 -0.447 1.130 0.175 0.00 0.00 +0.186 C ATOM 24 O LIG 1 0.431 1.894 -0.236 0.00 0.00 -0.290 OA BRANCH 23 25 ATOM 25 C LIG 1 -1.776 1.678 0.492 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -3.088 1.095 0.412 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -3.999 2.056 0.858 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -5.385 1.833 0.932 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.881 0.585 0.520 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -4.994 -0.386 0.044 0.00 0.00 +0.027 A ATOM 31 N LIG 1 -3.281 3.187 1.168 0.00 0.00 -0.360 N ATOM 32 H LIG 1 -3.684 4.052 1.504 0.00 0.00 +0.165 HD ATOM 33 C LIG 1 -3.613 -0.141 -0.018 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.954 2.980 0.931 0.00 0.00 +0.095 A BRANCH 29 35 ATOM 35 N LIG 1 -7.282 0.314 0.578 0.00 0.00 -0.306 N ATOM 36 C LIG 1 -8.282 1.156 1.020 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -9.478 0.613 0.951 0.00 0.00 -0.244 NA ATOM 38 C LIG 1 -9.268 -0.636 0.446 0.00 0.00 +0.130 A ATOM 39 C LIG 1 -7.930 -0.847 0.208 0.00 0.00 +0.112 A ENDBRANCH 29 35 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9