REMARK Name = BDB015269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.550 -0.618 -0.046 0.00 0.00 +0.154 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.542 -0.661 1.387 0.00 0.00 -0.388 OA ATOM 3 H LIG 1 0.405 -0.695 1.636 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 0.625 -1.472 -0.574 0.00 0.00 +0.118 C BRANCH 4 5 ATOM 5 N LIG 1 1.910 -1.110 0.070 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 2.389 0.215 -0.383 0.00 0.00 +0.120 C ATOM 7 C LIG 1 3.791 0.553 0.080 0.00 0.00 -0.030 A ATOM 8 C LIG 1 4.678 -0.452 0.499 0.00 0.00 -0.042 A ATOM 9 C LIG 1 5.979 -0.114 0.897 0.00 0.00 +0.004 A ATOM 10 C LIG 1 6.406 1.212 0.853 0.00 0.00 +0.000 A ATOM 11 C LIG 1 5.537 2.210 0.419 0.00 0.00 +0.000 A ATOM 12 C LIG 1 4.208 -1.881 0.582 0.00 0.00 +0.051 C ATOM 13 C LIG 1 4.237 1.883 0.032 0.00 0.00 +0.005 A ATOM 14 C LIG 1 2.934 -2.126 -0.237 0.00 0.00 +0.089 C ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 15 ATOM 15 C LIG 1 -1.889 -1.148 -0.587 0.00 0.00 +0.192 C BRANCH 15 16 ATOM 16 O LIG 1 -3.038 -0.402 -0.171 0.00 0.00 -0.375 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.057 0.950 -0.628 0.00 0.00 +0.191 C BRANCH 17 18 ATOM 18 C LIG 1 -4.456 1.569 -0.474 0.00 0.00 +0.144 C ATOM 19 O LIG 1 -5.344 0.999 -1.459 0.00 0.00 -0.374 OA ATOM 20 C LIG 1 -6.422 0.341 -0.781 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -5.994 0.148 0.655 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -5.102 1.342 0.886 0.00 0.00 +0.036 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 7