REMARK Name = BDB011379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.387 1.118 -0.023 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.530 0.118 -0.512 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.747 0.519 -0.243 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.140 0.021 -0.441 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.907 1.219 0.026 0.00 0.00 -0.251 N ATOM 6 C LIG 1 -2.058 2.231 0.554 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.320 3.310 1.058 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.721 1.754 0.335 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.604 2.144 0.500 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.298 1.396 -0.054 0.00 0.00 +0.078 A ATOM 11 C LIG 1 -5.319 0.648 -0.727 0.00 0.00 +0.081 A ATOM 12 C LIG 1 -5.240 -0.543 -1.606 0.00 0.00 +0.069 C ATOM 13 N LIG 1 -6.539 1.169 -0.525 0.00 0.00 -0.175 NA ATOM 14 N LIG 1 -6.316 2.238 0.247 0.00 0.00 -0.272 N ATOM 15 C LIG 1 -7.425 3.057 0.668 0.00 0.00 +0.172 C ATOM 16 C LIG 1 -5.003 2.421 0.545 0.00 0.00 +0.131 A ENDBRANCH 5 10 BRANCH 4 17 ATOM 17 C LIG 1 -2.448 -1.221 0.382 0.00 0.00 -0.021 A ATOM 18 C LIG 1 -2.419 -1.198 1.789 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -2.694 -2.349 2.532 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -3.000 -3.539 1.878 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -3.335 -4.957 2.791 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -3.032 -3.587 0.487 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.755 -2.436 -0.256 0.00 0.00 +0.007 A ENDBRANCH 4 17 BRANCH 1 25 ATOM 24 C LIG 1 3.662 0.368 0.758 0.00 0.00 +0.228 A ATOM 25 C LIG 1 2.846 1.079 -0.100 0.00 0.00 +0.078 A ATOM 26 C LIG 1 3.531 1.791 -1.056 0.00 0.00 +0.129 A ATOM 27 N LIG 1 4.874 1.787 -1.184 0.00 0.00 -0.222 NA ATOM 28 C LIG 1 5.587 1.052 -0.313 0.00 0.00 +0.220 A ATOM 29 N LIG 1 5.007 0.333 0.661 0.00 0.00 -0.179 NA BRANCH 28 30 ATOM 30 N LIG 1 6.979 1.056 -0.409 0.00 0.00 -0.306 N ATOM 31 C LIG 1 7.498 1.484 -1.698 0.00 0.00 +0.132 C ATOM 32 C LIG 1 7.635 -0.076 0.223 0.00 0.00 +0.132 C ENDBRANCH 28 30 BRANCH 24 34 ATOM 33 C LIG 1 3.968 -0.948 2.678 0.00 0.00 +0.279 C ATOM 34 O LIG 1 3.050 -0.362 1.762 0.00 0.00 -0.479 OA ENDBRANCH 24 34 ENDBRANCH 1 25 BRANCH 2 35 ATOM 35 C LIG 1 0.976 -1.075 -1.236 0.00 0.00 +0.081 C ATOM 36 C LIG 1 0.987 -2.325 -0.360 0.00 0.00 +0.030 C ATOM 37 C LIG 1 0.226 -1.302 -2.549 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6