REMARK Name = BDB002483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.708 0.104 -0.893 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -1.849 0.382 -2.261 0.00 0.00 +0.173 A ATOM 3 C LIG 1 -0.731 0.593 -3.069 0.00 0.00 +0.063 A ATOM 4 BR LIG 1 -0.898 0.969 -4.919 0.00 0.00 -0.046 Br ATOM 5 C LIG 1 0.548 0.529 -2.515 0.00 0.00 +0.028 A ATOM 6 C LIG 1 0.693 0.253 -1.153 0.00 0.00 -0.001 A ATOM 7 C LIG 1 -0.429 0.040 -0.339 0.00 0.00 +0.059 A ENDROOT BRANCH 2 8 ATOM 8 O LIG 1 -3.111 0.442 -2.794 0.00 0.00 -0.503 OA ATOM 9 H LIG 1 -3.720 0.264 -2.051 0.00 0.00 +0.292 HD ENDBRANCH 2 8 BRANCH 6 10 ATOM 10 C LIG 1 2.060 0.190 -0.585 0.00 0.00 +0.141 C ATOM 11 N LIG 1 2.249 -0.061 0.668 0.00 0.00 -0.172 NA BRANCH 11 12 ATOM 12 N LIG 1 3.538 -0.104 1.121 0.00 0.00 -0.207 N ATOM 13 C LIG 1 3.873 -0.361 2.426 0.00 0.00 +0.248 A ATOM 14 N LIG 1 5.176 -0.342 2.584 0.00 0.00 -0.136 NA ATOM 15 N LIG 1 5.733 -0.066 1.360 0.00 0.00 -0.136 NA ATOM 16 C LIG 1 4.748 0.073 0.500 0.00 0.00 +0.248 A ENDBRANCH 11 12 ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 O LIG 1 -2.888 -0.082 -0.220 0.00 0.00 -0.489 OA BRANCH 17 19 ATOM 18 C LIG 1 -4.213 -0.534 1.709 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -2.801 -0.368 1.177 0.00 0.00 +0.226 C ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 5