REMARK Name = BDB063486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.863 0.187 -0.120 0.00 0.00 +0.235 A ATOM 2 O LIG 1 -0.896 -0.498 1.060 0.00 0.00 -0.337 OA ATOM 3 N LIG 1 0.428 -0.753 1.408 0.00 0.00 -0.056 NA ATOM 4 C LIG 1 1.136 -0.197 0.411 0.00 0.00 +0.204 A ATOM 5 N LIG 1 0.357 0.395 -0.562 0.00 0.00 -0.191 NA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 2.587 -0.208 0.340 0.00 0.00 +0.041 A ATOM 7 C LIG 1 3.361 -0.813 1.325 0.00 0.00 +0.122 A ATOM 8 N LIG 1 4.719 -0.857 1.314 0.00 0.00 -0.263 NA ATOM 9 C LIG 1 5.335 -0.267 0.267 0.00 0.00 +0.111 A ATOM 10 C LIG 1 4.661 0.362 -0.766 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.267 0.390 -0.726 0.00 0.00 +0.014 A ENDBRANCH 4 6 BRANCH 1 15 ATOM 12 C LIG 1 -4.121 0.814 0.577 0.00 0.00 -0.030 C ATOM 13 C LIG 1 -4.149 -0.605 0.114 0.00 0.00 +0.028 C ATOM 14 C LIG 1 -3.082 -0.630 -0.984 0.00 0.00 +0.021 C ATOM 15 C LIG 1 -2.166 0.580 -0.725 0.00 0.00 +0.100 C ATOM 16 C LIG 1 -3.040 1.459 0.125 0.00 0.00 -0.018 C ENDBRANCH 1 15 TORSDOF 2