REMARK Name = BDB015266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.647 -0.657 -0.507 0.00 0.00 +0.118 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.757 -1.306 -1.237 0.00 0.00 -0.295 NA ATOM 3 C LIG 1 2.323 -0.405 -2.259 0.00 0.00 +0.120 C ATOM 4 C LIG 1 3.259 0.658 -1.719 0.00 0.00 -0.030 A ATOM 5 C LIG 1 3.904 0.492 -0.479 0.00 0.00 -0.042 A ATOM 6 C LIG 1 4.791 1.474 -0.018 0.00 0.00 +0.004 A ATOM 7 C LIG 1 5.054 2.604 -0.792 0.00 0.00 +0.000 A ATOM 8 C LIG 1 4.431 2.763 -2.028 0.00 0.00 +0.000 A ATOM 9 C LIG 1 3.596 -0.709 0.382 0.00 0.00 +0.051 C ATOM 10 C LIG 1 3.541 1.794 -2.492 0.00 0.00 +0.005 A ATOM 11 C LIG 1 2.844 -1.808 -0.384 0.00 0.00 +0.089 C ENDBRANCH 1 2 BRANCH 1 12 ATOM 12 C LIG 1 -0.038 -1.528 0.577 0.00 0.00 +0.154 C BRANCH 12 13 ATOM 13 O LIG 1 -0.503 -2.765 0.020 0.00 0.00 -0.388 OA ATOM 14 H LIG 1 -1.101 -2.514 -0.708 0.00 0.00 +0.210 HD ENDBRANCH 12 13 BRANCH 12 15 ATOM 15 C LIG 1 -1.236 -0.800 1.207 0.00 0.00 +0.192 C BRANCH 15 16 ATOM 16 O LIG 1 -2.191 -0.481 0.188 0.00 0.00 -0.374 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.332 0.199 0.692 0.00 0.00 +0.118 C ATOM 18 C LIG 1 -4.195 0.679 -0.468 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -5.540 0.956 0.183 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -5.661 -0.064 1.314 0.00 0.00 +0.003 C ATOM 21 C LIG 1 -4.287 -0.716 1.452 0.00 0.00 +0.031 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 1 12 TORSDOF 6