REMARK Name = BDB051038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.424 -0.264 0.315 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.252 0.374 0.794 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -1.228 1.862 1.057 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.070 -0.387 1.018 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.051 -1.768 0.734 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.210 -2.337 0.231 0.00 0.00 +0.138 A ATOM 7 O LIG 1 -1.033 -3.667 0.004 0.00 0.00 -0.460 OA ATOM 8 C LIG 1 0.242 -3.970 0.372 0.00 0.00 +0.103 A ATOM 9 C LIG 1 0.653 -5.378 0.212 0.00 0.00 +0.086 C ATOM 10 C LIG 1 0.883 -2.841 0.834 0.00 0.00 +0.053 A ATOM 11 C LIG 1 -2.392 -1.638 0.007 0.00 0.00 +0.070 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 1.150 0.249 1.569 0.00 0.00 +0.245 C ATOM 13 N LIG 1 2.291 0.084 0.816 0.00 0.00 -0.307 N ATOM 14 H LIG 1 2.272 -0.597 0.065 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 1.105 0.874 2.621 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 3.581 0.442 1.361 0.00 0.00 +0.149 C BRANCH 16 17 ATOM 17 C LIG 1 4.621 0.439 0.288 0.00 0.00 +0.075 A ATOM 18 C LIG 1 4.955 -0.878 -0.332 0.00 0.00 +0.257 A ATOM 19 O LIG 1 4.377 -1.912 -0.010 0.00 0.00 -0.267 OA ATOM 20 N LIG 1 5.931 -0.875 -1.298 0.00 0.00 -0.326 N ATOM 21 H LIG 1 6.133 -1.777 -1.714 0.00 0.00 +0.169 HD ATOM 22 C LIG 1 6.585 0.249 -1.744 0.00 0.00 +0.019 A ATOM 23 C LIG 1 7.584 0.070 -2.844 0.00 0.00 +0.063 C ATOM 24 C LIG 1 6.290 1.433 -1.188 0.00 0.00 +0.067 A ATOM 25 C LIG 1 5.316 1.516 -0.121 0.00 0.00 +0.132 A BRANCH 25 26 ATOM 26 O LIG 1 5.082 2.784 0.366 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 6.044 3.147 1.357 0.00 0.00 +0.277 C ENDBRANCH 25 26 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 4 12 BRANCH 1 28 ATOM 28 N LIG 1 -3.627 0.443 0.151 0.00 0.00 -0.327 N BRANCH 28 29 ATOM 29 C LIG 1 -4.243 0.446 -1.195 0.00 0.00 +0.078 C ATOM 30 C LIG 1 -4.414 1.873 -1.732 0.00 0.00 +0.050 C ATOM 31 C LIG 1 -5.771 2.485 -1.431 0.00 0.00 +0.161 C ATOM 32 O LIG 1 -6.824 1.596 -1.792 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -6.788 0.394 -1.030 0.00 0.00 +0.161 C ATOM 34 C LIG 1 -5.519 -0.390 -1.317 0.00 0.00 +0.050 C ENDBRANCH 28 29 BRANCH 28 36 ATOM 35 C LIG 1 -4.876 -0.402 2.142 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -4.345 0.803 1.378 0.00 0.00 +0.102 C ENDBRANCH 28 36 ENDBRANCH 1 28 TORSDOF 7