REMARK Name = BDB024170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.452 -1.205 -1.610 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.249 -1.431 -0.119 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.185 -2.727 0.418 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.018 -2.923 1.790 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.927 -1.828 2.646 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.015 -0.536 2.135 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.183 -0.338 0.763 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.544 -2.108 -2.503 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.809 -2.159 -2.390 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.214 -2.935 -2.898 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 1.048 -2.826 -3.382 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -1.782 -1.418 -1.733 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.977 -2.032 -1.710 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 -4.007 -1.392 -1.095 0.00 0.00 +0.136 A ATOM 15 C LIG 1 -3.953 -0.131 -0.498 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -2.702 0.482 -0.591 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -1.615 -0.150 -1.213 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 -5.037 0.470 0.122 0.00 0.00 -0.328 N ATOM 19 C LIG 1 -6.157 -0.343 0.616 0.00 0.00 +0.111 C ATOM 20 C LIG 1 -6.769 0.313 1.842 0.00 0.00 +0.094 C ATOM 21 C LIG 1 -7.266 1.701 1.499 0.00 0.00 +0.252 C ATOM 22 F LIG 1 -7.210 2.468 2.622 0.00 0.00 -0.206 F ATOM 23 F LIG 1 -8.582 1.637 1.161 0.00 0.00 -0.206 F ATOM 24 C LIG 1 -6.518 2.397 0.381 0.00 0.00 +0.094 C ATOM 25 C LIG 1 -5.077 1.921 0.342 0.00 0.00 +0.111 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.870 -1.480 -1.971 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 2.895 -1.676 -2.976 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.789 -0.394 -1.635 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.720 -0.804 -0.486 0.00 0.00 +0.050 C BRANCH 29 33 ATOM 30 C LIG 1 7.267 2.477 0.697 0.00 0.00 +0.052 A ATOM 31 C LIG 1 6.087 2.214 1.400 0.00 0.00 +0.019 A ATOM 32 C LIG 1 5.267 1.149 1.019 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.620 0.335 -0.066 0.00 0.00 -0.046 A ATOM 34 C LIG 1 6.802 0.605 -0.768 0.00 0.00 +0.005 A ATOM 35 C LIG 1 7.622 1.669 -0.388 0.00 0.00 +0.019 A BRANCH 30 37 ATOM 36 N LIG 1 8.785 4.459 1.401 0.00 0.00 -0.191 NA ATOM 37 C LIG 1 8.108 3.570 1.087 0.00 0.00 +0.099 C ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9