REMARK Name = BDB024846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.766 -3.699 0.422 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.609 -2.456 -0.223 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.855 -1.703 -0.492 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.693 -2.370 -1.599 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.646 -0.234 -0.887 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.563 0.394 -0.037 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.298 -0.377 -0.271 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.045 0.265 -0.335 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.748 1.599 -0.212 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.435 1.697 -0.282 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.126 0.458 -0.511 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.888 -0.476 -0.536 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.910 -1.860 -0.704 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.159 -2.491 -0.625 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.346 -1.786 -0.374 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.860 -4.216 0.638 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 3.748 -5.523 1.523 0.00 0.00 +0.282 C ATOM 18 O LIG 1 3.605 -4.269 0.856 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.538 0.162 -0.689 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.236 -0.058 0.640 0.00 0.00 +0.233 C ATOM 21 N LIG 1 -3.100 -1.107 0.783 0.00 0.00 -0.311 N ATOM 22 H LIG 1 -3.582 -1.088 1.677 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -2.064 0.690 1.605 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.682 -1.968 -0.239 0.00 0.00 +0.135 C BRANCH 24 25 ATOM 25 C LIG 1 -4.830 -1.286 -0.988 0.00 0.00 +0.135 C ATOM 26 O LIG 1 -5.915 -1.007 -0.082 0.00 0.00 -0.375 OA ATOM 27 C LIG 1 -7.152 -1.319 -0.739 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -6.822 -1.606 -2.188 0.00 0.00 +0.031 C ATOM 29 C LIG 1 -5.420 -2.153 -2.087 0.00 0.00 +0.035 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.339 2.964 -0.096 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 0.175 3.740 1.121 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -0.773 4.765 1.565 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -0.855 5.960 0.854 0.00 0.00 +0.251 A ATOM 34 O LIG 1 -0.205 6.225 -0.154 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -1.827 6.963 1.375 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -2.583 6.679 2.439 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -2.473 5.400 3.092 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -1.591 4.496 2.650 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 8