REMARK Name = BDB001755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.675 -1.001 0.250 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -1.435 -1.098 0.875 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -0.491 -0.079 0.699 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -0.801 1.056 -0.055 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -2.041 1.154 -0.686 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -2.968 0.121 -0.538 0.00 0.00 +0.091 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.809 -0.185 1.388 0.00 0.00 +0.279 C ATOM 8 N LIG 1 2.073 0.001 0.770 0.00 0.00 -0.200 N ATOM 9 C LIG 1 2.445 -0.033 -0.574 0.00 0.00 +0.045 A ATOM 10 C LIG 1 1.572 -0.436 -1.705 0.00 0.00 +0.066 C ATOM 11 C LIG 1 3.779 0.319 -0.614 0.00 0.00 +0.048 A ATOM 12 C LIG 1 4.170 0.474 0.726 0.00 0.00 +0.061 A ATOM 13 C LIG 1 5.511 0.816 1.258 0.00 0.00 +0.067 C ATOM 14 N LIG 1 3.157 0.247 1.562 0.00 0.00 -0.169 NA ATOM 15 O LIG 1 0.768 -0.454 2.591 0.00 0.00 -0.265 OA ENDBRANCH 3 7 BRANCH 1 17 ATOM 16 C LIG 1 -3.486 -3.026 1.201 0.00 0.00 +0.277 C ATOM 17 O LIG 1 -3.683 -1.924 0.321 0.00 0.00 -0.495 OA ENDBRANCH 1 17 BRANCH 5 18 ATOM 18 O LIG 1 -2.218 2.297 -1.415 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 -3.492 2.482 -2.021 0.00 0.00 +0.277 C ENDBRANCH 5 18 TORSDOF 3