REMARK Name = BDB015424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 2.007 2.348 2.747 0.00 0.00 -0.269 OA ATOM 2 C LIG 1 1.985 2.007 1.561 0.00 0.00 +0.256 C ATOM 3 N LIG 1 1.102 2.560 0.636 0.00 0.00 -0.238 N ATOM 4 C LIG 1 0.311 1.988 -0.374 0.00 0.00 +0.188 C ATOM 5 N LIG 1 -0.385 2.854 -1.057 0.00 0.00 -0.254 NA ATOM 6 C LIG 1 -0.096 4.173 -0.456 0.00 0.00 +0.164 C ATOM 7 C LIG 1 0.563 3.865 0.867 0.00 0.00 +0.140 C ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 0.270 0.632 -0.616 0.00 0.00 -0.301 N ATOM 9 C LIG 1 -0.271 0.186 -1.914 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -1.792 -0.083 -1.843 0.00 0.00 +0.103 C ATOM 11 N LIG 1 -2.238 -0.823 -0.642 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 -1.101 -1.383 0.094 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -0.105 -0.270 0.505 0.00 0.00 +0.123 C BRANCH 11 14 ATOM 14 C LIG 1 -3.372 -1.693 -0.962 0.00 0.00 +0.057 C ATOM 15 C LIG 1 -3.023 -3.170 -1.246 0.00 0.00 +0.019 C ATOM 16 C LIG 1 -4.288 -3.528 -0.427 0.00 0.00 +0.003 C ATOM 17 C LIG 1 -4.104 -2.178 0.309 0.00 0.00 +0.019 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 2 18 ATOM 18 C LIG 1 2.947 0.962 1.117 0.00 0.00 +0.079 A ATOM 19 C LIG 1 3.470 0.058 2.055 0.00 0.00 +0.129 A ATOM 20 C LIG 1 4.368 -0.933 1.664 0.00 0.00 +0.046 A ATOM 21 C LIG 1 4.777 -1.013 0.333 0.00 0.00 +0.004 A ATOM 22 C LIG 1 4.294 -0.098 -0.602 0.00 0.00 +0.001 A ATOM 23 C LIG 1 3.389 0.892 -0.212 0.00 0.00 +0.017 A BRANCH 19 24 ATOM 24 O LIG 1 3.139 0.083 3.385 0.00 0.00 -0.506 OA ATOM 25 H LIG 1 2.675 0.933 3.560 0.00 0.00 +0.292 HD ENDBRANCH 19 24 ENDBRANCH 2 18 TORSDOF 4