REMARK Name = BDB024467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.759 -1.560 -0.073 0.00 0.00 +0.145 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.635 -2.313 1.148 0.00 0.00 -0.389 OA ATOM 3 H LIG 1 -1.106 -1.768 1.812 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -2.201 -1.018 -0.178 0.00 0.00 +0.117 C BRANCH 4 15 ATOM 5 C LIG 1 -6.846 -1.809 1.377 0.00 0.00 +0.149 C ATOM 6 N LIG 1 -6.329 -0.634 0.710 0.00 0.00 -0.345 N ATOM 7 C LIG 1 -7.074 0.197 -0.111 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -6.228 1.228 -0.536 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -6.741 2.226 -1.388 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -8.078 2.168 -1.793 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -8.902 1.133 -1.363 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -4.955 0.986 0.042 0.00 0.00 -0.016 A ATOM 13 C LIG 1 -3.675 1.736 -0.082 0.00 0.00 +0.053 C ATOM 14 C LIG 1 -2.611 1.165 0.895 0.00 0.00 +0.089 C ATOM 15 N LIG 1 -2.596 -0.316 1.067 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 -3.918 -0.781 1.560 0.00 0.00 +0.138 C ATOM 17 C LIG 1 -8.417 0.130 -0.517 0.00 0.00 +0.026 A ATOM 18 C LIG 1 -5.039 -0.174 0.785 0.00 0.00 +0.037 A ENDBRANCH 4 15 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 C LIG 1 0.306 -0.459 -0.092 0.00 0.00 +0.137 C BRANCH 19 20 ATOM 20 N LIG 1 1.641 -1.024 -0.142 0.00 0.00 -0.308 N ATOM 21 H LIG 1 1.822 -1.873 0.391 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 2.742 -0.274 -0.493 0.00 0.00 +0.263 C ATOM 23 O LIG 1 2.676 0.859 -0.957 0.00 0.00 -0.269 OA BRANCH 22 24 ATOM 24 C LIG 1 4.058 -0.944 -0.249 0.00 0.00 +0.130 A ATOM 25 N LIG 1 4.010 -2.162 0.339 0.00 0.00 -0.231 NA ATOM 26 C LIG 1 5.202 -2.727 0.540 0.00 0.00 +0.224 A ATOM 27 N LIG 1 6.392 -2.195 0.223 0.00 0.00 -0.221 NA ATOM 28 C LIG 1 6.387 -0.980 -0.350 0.00 0.00 +0.123 A ATOM 29 C LIG 1 5.221 -0.304 -0.616 0.00 0.00 +0.076 A BRANCH 28 30 ATOM 30 N LIG 1 7.644 -0.463 -0.677 0.00 0.00 -0.326 N ATOM 31 H LIG 1 8.350 -1.081 -0.283 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 7.995 0.920 -0.785 0.00 0.00 +0.072 C ATOM 33 C LIG 1 8.201 1.605 0.585 0.00 0.00 +0.022 C ATOM 34 C LIG 1 9.700 1.263 0.481 0.00 0.00 +0.004 C ATOM 35 C LIG 1 9.505 1.122 -1.042 0.00 0.00 +0.022 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 22 24 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 8