REMARK Name = BDB039354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.143 -5.620 -1.407 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -2.766 -4.549 -0.668 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -2.154 -3.357 -0.370 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -3.061 -2.582 0.346 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.649 -1.300 0.763 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.339 -0.926 0.405 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.513 -1.795 -0.316 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -4.254 -3.350 0.462 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.898 -3.027 -0.723 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -4.042 -4.559 -0.168 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 0.865 -1.417 -0.701 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.720 -0.737 0.193 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.003 -0.404 -0.215 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.083 0.313 0.526 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.192 0.281 -0.418 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.821 -0.257 -1.643 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.484 -0.332 -2.659 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.442 -0.735 -1.494 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.649 -1.401 -2.403 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.357 -1.745 -1.993 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.408 1.069 -0.259 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.147 2.579 -0.383 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.091 3.074 -0.773 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.194 3.388 -0.005 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.006 4.380 -0.072 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.168 3.056 0.902 0.00 0.00 +0.219 C ATOM 27 O LIG 1 8.809 3.923 1.488 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.412 1.581 1.122 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.110 0.796 1.068 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -3.531 -0.348 1.539 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 N LIG 1 -4.613 0.207 0.733 0.00 0.00 -0.290 NA ATOM 32 C LIG 1 -4.155 1.077 -0.374 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -5.222 2.118 -0.502 0.00 0.00 -0.029 A ATOM 34 C LIG 1 -6.051 2.069 0.617 0.00 0.00 -0.029 A ATOM 35 C LIG 1 -7.106 2.952 0.767 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.325 3.893 -0.241 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.490 3.942 -1.369 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.423 3.051 -1.505 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -5.573 0.993 1.538 0.00 0.00 +0.120 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4