REMARK Name = BDB057115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.200 0.526 -1.004 0.00 0.00 +0.124 A ATOM 2 C LIG 1 1.198 -0.378 -0.636 0.00 0.00 +0.091 A ATOM 3 C LIG 1 -0.153 0.007 -0.651 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.504 1.318 -1.023 0.00 0.00 +0.011 A ATOM 5 C LIG 1 0.513 2.213 -1.399 0.00 0.00 +0.012 A ATOM 6 C LIG 1 1.849 1.819 -1.386 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 3.544 0.273 -1.034 0.00 0.00 -0.487 OA BRANCH 7 8 ATOM 8 C LIG 1 3.978 -1.037 -0.669 0.00 0.00 +0.264 C BRANCH 8 12 ATOM 9 C LIG 1 8.300 -1.250 -0.850 0.00 0.00 +0.120 A ATOM 10 C LIG 1 7.514 -2.223 -1.472 0.00 0.00 +0.046 A ATOM 11 C LIG 1 6.119 -2.154 -1.423 0.00 0.00 +0.010 A ATOM 12 C LIG 1 5.485 -1.102 -0.751 0.00 0.00 -0.010 A ATOM 13 C LIG 1 6.279 -0.134 -0.119 0.00 0.00 +0.010 A ATOM 14 C LIG 1 7.676 -0.205 -0.170 0.00 0.00 +0.046 A BRANCH 9 16 ATOM 15 C LIG 1 10.491 -0.444 -0.406 0.00 0.00 +0.277 C ATOM 16 O LIG 1 9.649 -1.438 -0.976 0.00 0.00 -0.495 OA ENDBRANCH 9 16 ENDBRANCH 8 12 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 O LIG 1 -1.196 -0.818 -0.322 0.00 0.00 -0.487 OA BRANCH 17 18 ATOM 18 C LIG 1 -0.907 -2.173 0.015 0.00 0.00 +0.264 C BRANCH 18 19 ATOM 19 C LIG 1 -2.210 -2.900 0.242 0.00 0.00 -0.010 A ATOM 20 C LIG 1 -2.501 -3.490 1.480 0.00 0.00 +0.010 A ATOM 21 C LIG 1 -3.704 -4.179 1.679 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -4.630 -4.289 0.641 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -4.345 -3.700 -0.593 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -3.147 -3.010 -0.794 0.00 0.00 +0.010 A BRANCH 22 25 ATOM 25 O LIG 1 -5.832 -4.940 0.701 0.00 0.00 -0.495 OA ATOM 26 C LIG 1 -6.199 -5.495 1.958 0.00 0.00 +0.277 C ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 BRANCH 4 27 ATOM 27 C LIG 1 -1.947 1.782 -1.072 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 N LIG 1 -2.099 3.007 -0.286 0.00 0.00 -0.340 N ATOM 29 H LIG 1 -1.611 2.937 0.605 0.00 0.00 +0.146 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.368 3.579 -0.133 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -3.550 4.528 0.885 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -4.774 5.193 1.050 0.00 0.00 +0.061 A ATOM 33 C LIG 1 -5.829 4.932 0.172 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -5.652 4.024 -0.868 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -4.427 3.366 -1.024 0.00 0.00 +0.023 A BRANCH 32 36 ATOM 36 C LIG 1 -4.990 6.184 2.131 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -6.010 6.823 2.319 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.922 6.327 2.936 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -4.210 7.003 3.585 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 13