REMARK Name = BDB024806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.657 -3.343 0.955 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.364 -2.238 0.135 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.464 -1.494 -0.529 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.111 -2.332 -1.648 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.058 -0.147 -1.148 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.064 0.571 -0.265 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.857 -0.310 -0.140 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.547 0.212 -0.179 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.136 1.514 -0.351 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.180 1.489 -0.312 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.639 0.200 -0.126 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.454 -0.632 -0.032 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.593 -2.005 0.169 0.00 0.00 +0.030 A ATOM 14 C LIG 1 1.898 -2.514 0.216 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.031 -1.698 0.071 0.00 0.00 +0.045 A ATOM 16 O LIG 1 3.851 -4.006 1.599 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.355 -4.687 1.875 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.998 -3.606 1.013 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.034 -0.216 -0.077 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.664 0.088 1.269 0.00 0.00 +0.233 C ATOM 21 N LIG 1 -3.946 0.549 1.334 0.00 0.00 -0.308 N ATOM 22 H LIG 1 -4.242 0.777 2.276 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -2.064 -0.077 2.332 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.840 0.893 0.244 0.00 0.00 +0.159 C BRANCH 24 25 ATOM 25 C LIG 1 -5.443 -0.335 -0.397 0.00 0.00 +0.061 A ATOM 26 N LIG 1 -4.910 -0.749 -1.570 0.00 0.00 -0.239 NA ATOM 27 C LIG 1 -5.446 -1.855 -2.110 0.00 0.00 +0.221 A ATOM 28 N LIG 1 -6.437 -2.587 -1.584 0.00 0.00 -0.244 NA ATOM 29 C LIG 1 -6.923 -2.152 -0.408 0.00 0.00 +0.114 A ATOM 30 C LIG 1 -6.461 -1.027 0.236 0.00 0.00 +0.044 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -1.052 2.693 -0.439 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 -1.232 3.383 0.907 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 -2.258 4.407 0.837 0.00 0.00 -0.271 N ATOM 34 N LIG 1 -3.559 4.048 0.782 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 -4.202 5.218 0.725 0.00 0.00 +0.134 A ATOM 36 C LIG 1 -3.322 6.316 0.729 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -2.068 5.758 0.802 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8