REMARK Name = BDB026509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.090 -1.521 1.020 0.00 0.00 -0.288 N ATOM 2 C LIG 1 2.588 -2.262 -0.061 0.00 0.00 +0.070 A ATOM 3 C LIG 1 1.260 -1.875 -0.264 0.00 0.00 +0.070 A ATOM 4 C LIG 1 0.490 -2.417 -1.273 0.00 0.00 +0.028 A ATOM 5 C LIG 1 1.091 -3.379 -2.091 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.428 -3.773 -1.884 0.00 0.00 +0.002 A ATOM 7 N LIG 1 0.946 -0.900 0.693 0.00 0.00 -0.290 N ATOM 8 C LIG 1 3.194 -3.212 -0.856 0.00 0.00 +0.028 A ATOM 9 C LIG 1 2.083 -0.654 1.488 0.00 0.00 +0.331 A ATOM 10 O LIG 1 2.180 0.167 2.387 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 4.431 -1.572 1.540 0.00 0.00 +0.163 C BRANCH 11 15 ATOM 12 C LIG 1 7.232 0.595 -0.816 0.00 0.00 +0.140 A ATOM 13 N LIG 1 7.357 -0.753 -0.727 0.00 0.00 -0.244 NA ATOM 14 C LIG 1 6.447 -1.401 0.034 0.00 0.00 +0.117 A ATOM 15 C LIG 1 5.407 -0.777 0.715 0.00 0.00 -0.009 A ATOM 16 C LIG 1 5.313 0.615 0.606 0.00 0.00 +0.009 A ATOM 17 C LIG 1 6.235 1.314 -0.170 0.00 0.00 +0.039 A BRANCH 12 19 ATOM 18 N LIG 1 8.986 1.847 -2.270 0.00 0.00 -0.189 NA ATOM 19 C LIG 1 8.211 1.266 -1.626 0.00 0.00 +0.119 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 1 11 BRANCH 7 20 ATOM 20 C LIG 1 -0.319 -0.207 0.832 0.00 0.00 +0.159 C BRANCH 20 21 ATOM 21 C LIG 1 -0.273 1.196 0.205 0.00 0.00 +0.148 C BRANCH 21 22 ATOM 22 O LIG 1 -0.093 1.121 -1.216 0.00 0.00 -0.389 OA ATOM 23 H LIG 1 0.704 0.580 -1.361 0.00 0.00 +0.210 HD ENDBRANCH 21 22 BRANCH 21 24 ATOM 24 C LIG 1 -1.529 2.033 0.547 0.00 0.00 +0.117 C BRANCH 24 25 ATOM 25 N LIG 1 -2.834 1.345 0.410 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 -3.888 2.177 1.033 0.00 0.00 +0.120 C ATOM 27 C LIG 1 -5.293 1.656 0.819 0.00 0.00 -0.030 A ATOM 28 C LIG 1 -5.582 0.775 -0.236 0.00 0.00 -0.042 A ATOM 29 C LIG 1 -6.896 0.333 -0.435 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -7.924 0.784 0.391 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.646 1.673 1.427 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.467 0.261 -1.109 0.00 0.00 +0.051 C ATOM 33 C LIG 1 -6.338 2.108 1.639 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -3.185 1.100 -1.000 0.00 0.00 +0.089 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 8