REMARK Name = BDB011340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.217 0.275 1.463 0.00 0.00 +0.057 A ATOM 2 N LIG 1 -1.463 -0.598 0.673 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.176 -0.148 0.706 0.00 0.00 +0.057 A ATOM 4 C LIG 1 1.118 -0.537 0.087 0.00 0.00 +0.154 C ATOM 5 N LIG 1 1.992 0.478 0.742 0.00 0.00 -0.282 N ATOM 6 C LIG 1 1.286 1.392 1.548 0.00 0.00 +0.249 C ATOM 7 O LIG 1 1.715 2.354 2.161 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.078 0.945 1.513 0.00 0.00 +0.060 A ATOM 9 C LIG 1 -1.349 1.231 2.001 0.00 0.00 +0.041 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 1.108 -0.456 -1.427 0.00 0.00 -0.021 A ATOM 11 C LIG 1 0.692 0.706 -2.103 0.00 0.00 +0.007 A ATOM 12 C LIG 1 0.681 0.757 -3.499 0.00 0.00 +0.020 A ATOM 13 C LIG 1 1.087 -0.354 -4.234 0.00 0.00 +0.041 A ATOM 14 CL LIG 1 1.074 -0.294 -5.953 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 1.502 -1.514 -3.585 0.00 0.00 +0.020 A ATOM 16 C LIG 1 1.512 -1.565 -2.189 0.00 0.00 +0.007 A ENDBRANCH 4 10 BRANCH 1 20 ATOM 17 C LIG 1 -6.318 0.073 2.184 0.00 0.00 +0.321 A ATOM 18 N LIG 1 -5.937 0.705 1.064 0.00 0.00 -0.159 NA ATOM 19 C LIG 1 -4.607 0.765 0.845 0.00 0.00 +0.230 A ATOM 20 C LIG 1 -3.658 0.199 1.683 0.00 0.00 +0.078 A ATOM 21 C LIG 1 -4.179 -0.400 2.811 0.00 0.00 +0.131 A ATOM 22 N LIG 1 -5.497 -0.490 3.079 0.00 0.00 -0.202 NA BRANCH 17 24 ATOM 23 C LIG 1 -8.500 0.617 1.550 0.00 0.00 +0.280 C ATOM 24 O LIG 1 -7.658 -0.044 2.485 0.00 0.00 -0.466 OA ENDBRANCH 17 24 BRANCH 19 25 ATOM 25 O LIG 1 -4.148 1.419 -0.286 0.00 0.00 -0.479 OA ATOM 26 C LIG 1 -5.180 2.027 -1.054 0.00 0.00 +0.279 C ENDBRANCH 19 25 ENDBRANCH 1 20 BRANCH 5 27 ATOM 27 C LIG 1 3.442 0.593 0.558 0.00 0.00 +0.078 C ATOM 28 C LIG 1 3.806 1.528 -0.601 0.00 0.00 +0.025 C ATOM 29 C LIG 1 5.309 1.835 -0.649 0.00 0.00 +0.033 C ATOM 30 C LIG 1 6.195 0.693 -0.125 0.00 0.00 +0.118 C ATOM 31 C LIG 1 5.505 -0.658 -0.322 0.00 0.00 +0.033 C ATOM 32 C LIG 1 4.180 -0.754 0.447 0.00 0.00 +0.025 C BRANCH 30 33 ATOM 33 O LIG 1 6.432 0.936 1.266 0.00 0.00 -0.380 OA ATOM 34 C LIG 1 7.573 0.260 1.777 0.00 0.00 +0.194 C ENDBRANCH 30 33 ENDBRANCH 5 27 BRANCH 2 35 ATOM 35 C LIG 1 -1.892 -1.788 -0.062 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -2.571 -2.841 0.813 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -2.718 -1.459 -1.304 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 7