REMARK Name = BDB015249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.639 -0.278 -0.757 0.00 0.00 +0.154 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.943 -1.482 -1.473 0.00 0.00 -0.388 OA ATOM 3 H LIG 1 0.122 -2.013 -1.438 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.834 0.103 -1.030 0.00 0.00 +0.118 C BRANCH 4 5 ATOM 5 N LIG 1 -1.758 -1.018 -0.740 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -3.102 -0.755 -1.299 0.00 0.00 +0.120 C ATOM 7 C LIG 1 -4.069 -0.117 -0.333 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -4.127 -0.641 0.970 0.00 0.00 -0.042 A ATOM 9 C LIG 1 -5.062 -0.156 1.885 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.931 0.867 1.504 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -5.872 1.396 0.213 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -3.146 -1.734 1.299 0.00 0.00 +0.051 C ATOM 13 C LIG 1 -4.949 0.901 -0.709 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -1.777 -1.355 0.706 0.00 0.00 +0.089 C ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 15 ATOM 15 C LIG 1 1.583 0.853 -1.202 0.00 0.00 +0.192 C BRANCH 15 16 ATOM 16 O LIG 1 2.971 0.587 -0.976 0.00 0.00 -0.373 OA BRANCH 16 17 ATOM 17 C LIG 1 3.329 0.481 0.398 0.00 0.00 +0.195 C BRANCH 17 18 ATOM 18 C LIG 1 4.830 0.498 0.528 0.00 0.00 -0.019 A ATOM 19 C LIG 1 5.636 -0.240 -0.345 0.00 0.00 +0.025 A ATOM 20 C LIG 1 7.009 -0.221 -0.164 0.00 0.00 +0.111 A ATOM 21 N LIG 1 7.629 0.464 0.821 0.00 0.00 -0.263 NA ATOM 22 C LIG 1 6.835 1.163 1.659 0.00 0.00 +0.111 A ATOM 23 C LIG 1 5.452 1.208 1.559 0.00 0.00 +0.025 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 7