REMARK Name = BDB015254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.458 -1.489 -1.705 0.00 0.00 +0.154 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.474 -2.292 -2.323 0.00 0.00 -0.388 OA ATOM 3 H LIG 1 -1.128 -3.197 -2.407 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.060 -2.082 -0.347 0.00 0.00 +0.192 C BRANCH 4 5 ATOM 5 O LIG 1 0.887 -1.299 0.376 0.00 0.00 -0.376 OA BRANCH 5 6 ATOM 6 C LIG 1 2.221 -1.394 -0.132 0.00 0.00 +0.178 C BRANCH 6 9 ATOM 7 C LIG 1 5.096 -1.821 -0.193 0.00 0.00 +0.105 C ATOM 8 N LIG 1 4.612 -0.558 0.344 0.00 0.00 -0.300 NA ATOM 9 C LIG 1 3.184 -0.551 0.747 0.00 0.00 +0.082 C ATOM 10 C LIG 1 2.624 0.890 0.877 0.00 0.00 +0.021 C ATOM 11 C LIG 1 3.702 1.877 1.303 0.00 0.00 +0.003 C ATOM 12 C LIG 1 4.857 1.884 0.300 0.00 0.00 +0.015 C ATOM 13 C LIG 1 4.969 0.580 -0.498 0.00 0.00 +0.084 C ENDBRANCH 6 9 ENDBRANCH 5 6 ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 14 ATOM 14 C LIG 1 -0.876 0.005 -1.691 0.00 0.00 +0.118 C BRANCH 14 15 ATOM 15 N LIG 1 -1.995 0.501 -0.877 0.00 0.00 -0.295 NA ATOM 16 C LIG 1 -3.230 -0.278 -1.025 0.00 0.00 +0.120 C ATOM 17 C LIG 1 -4.385 0.286 -0.219 0.00 0.00 -0.030 A ATOM 18 C LIG 1 -4.152 1.141 0.875 0.00 0.00 -0.042 A ATOM 19 C LIG 1 -5.233 1.621 1.626 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -6.536 1.235 1.311 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.768 0.374 0.241 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.747 1.591 1.193 0.00 0.00 +0.051 C ATOM 23 C LIG 1 -5.699 -0.101 -0.519 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -1.676 0.706 0.537 0.00 0.00 +0.089 C ENDBRANCH 14 15 ENDBRANCH 1 14 TORSDOF 7