REMARK Name = BDB018320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.892 3.352 1.125 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -3.510 1.969 0.885 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -4.238 0.951 1.481 0.00 0.00 +0.252 A ATOM 4 O LIG 1 -5.207 1.108 2.218 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -3.783 -0.425 1.180 0.00 0.00 +0.081 A ATOM 6 C LIG 1 -2.709 -0.670 0.403 0.00 0.00 +0.018 A ATOM 7 C LIG 1 -1.951 0.470 -0.155 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.397 1.716 0.105 0.00 0.00 +0.098 A ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -2.353 -2.037 0.108 0.00 0.00 +0.114 A ATOM 10 N LIG 1 -2.267 -2.551 -1.128 0.00 0.00 -0.078 NA ATOM 11 O LIG 1 -1.917 -3.879 -0.969 0.00 0.00 -0.362 OA ATOM 12 C LIG 1 -1.804 -4.160 0.350 0.00 0.00 +0.231 A ATOM 13 C LIG 1 -2.072 -3.034 1.081 0.00 0.00 +0.072 A ENDBRANCH 6 9 BRANCH 7 14 ATOM 14 C LIG 1 -0.758 0.300 -0.932 0.00 0.00 +0.022 A ATOM 15 C LIG 1 0.375 -0.392 -0.566 0.00 0.00 +0.117 A ATOM 16 N LIG 1 1.250 -0.267 -1.611 0.00 0.00 -0.267 N ATOM 17 N LIG 1 0.768 0.489 -2.623 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 -0.459 0.819 -2.210 0.00 0.00 +0.143 A BRANCH 16 19 ATOM 19 C LIG 1 2.563 -0.886 -1.725 0.00 0.00 +0.178 C BRANCH 19 20 ATOM 20 C LIG 1 3.569 -0.244 -0.801 0.00 0.00 -0.026 A ATOM 21 C LIG 1 4.103 -0.956 0.282 0.00 0.00 +0.005 A ATOM 22 C LIG 1 5.035 -0.357 1.132 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.443 0.956 0.907 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.921 1.674 -0.167 0.00 0.00 +0.000 A ATOM 25 C LIG 1 3.990 1.078 -1.018 0.00 0.00 +0.005 A ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 7 14 TORSDOF 4