REMARK Name = BDB017669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.517 -1.100 -1.197 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.930 -1.506 0.078 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.117 -1.008 0.624 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.915 -0.087 -0.072 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -5.152 0.415 0.575 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.909 1.398 -0.060 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -5.354 2.010 -0.652 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -6.967 2.103 0.655 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -7.734 1.115 1.526 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.782 0.366 2.465 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.519 -0.079 1.775 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.678 -1.073 2.494 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -4.996 -1.518 3.593 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -3.506 0.295 -1.357 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -3.519 -1.459 1.885 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -2.963 -2.134 2.390 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -2.320 -0.201 -1.910 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -0.237 -1.634 -1.804 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 3.637 -0.127 -1.424 0.00 0.00 -0.313 N ATOM 20 C LIG 1 3.180 -1.375 -2.052 0.00 0.00 +0.122 C ATOM 21 C LIG 1 1.894 -1.120 -2.870 0.00 0.00 +0.103 C ATOM 22 N LIG 1 0.750 -0.582 -2.096 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 1.217 0.080 -0.854 0.00 0.00 +0.103 C ATOM 24 C LIG 1 2.580 0.800 -0.985 0.00 0.00 +0.122 C BRANCH 19 27 ATOM 25 C LIG 1 6.625 0.854 0.525 0.00 0.00 +0.125 A ATOM 26 C LIG 1 5.427 0.943 -0.187 0.00 0.00 +0.089 A ATOM 27 C LIG 1 4.821 -0.203 -0.700 0.00 0.00 +0.125 A ATOM 28 N LIG 1 5.407 -1.410 -0.538 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 6.566 -1.480 0.153 0.00 0.00 +0.116 A ATOM 30 C LIG 1 7.208 -0.389 0.704 0.00 0.00 +0.065 A BRANCH 25 32 ATOM 31 C LIG 1 8.346 2.009 1.691 0.00 0.00 +0.277 C ATOM 32 O LIG 1 7.113 2.048 0.982 0.00 0.00 -0.495 OA ENDBRANCH 25 32 ENDBRANCH 19 27 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4