REMARK Name = BDB024818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.317 -3.051 -0.286 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.434 -2.510 0.667 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.475 -2.994 2.070 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -2.956 -4.440 2.177 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.674 -2.150 3.073 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.814 -0.677 2.765 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.280 -0.457 1.381 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.490 0.667 1.062 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.045 1.677 1.882 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.349 2.493 1.117 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.299 2.021 -0.176 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.042 0.861 -0.238 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.347 -0.025 -1.271 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.135 -1.137 -0.946 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.612 -1.370 0.353 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.402 -2.727 -1.466 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.087 -4.555 -0.666 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.149 -3.994 0.253 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.445 2.599 -1.281 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 1.924 2.261 -1.239 0.00 0.00 +0.233 C ATOM 21 N LIG 1 2.240 0.948 -0.958 0.00 0.00 -0.311 N ATOM 22 H LIG 1 1.494 0.268 -0.860 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.780 3.108 -1.491 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.610 0.451 -0.985 0.00 0.00 +0.073 C ATOM 25 C LIG 1 4.039 0.175 -2.437 0.00 0.00 +0.022 C ATOM 26 C LIG 1 5.066 -0.947 -2.519 0.00 0.00 +0.007 C ATOM 27 C LIG 1 4.490 -2.278 -2.006 0.00 0.00 +0.015 C ATOM 28 C LIG 1 3.495 -2.080 -0.841 0.00 0.00 +0.007 C ATOM 29 C LIG 1 3.752 -0.783 -0.079 0.00 0.00 +0.022 C BRANCH 27 30 ATOM 30 C LIG 1 5.632 -3.234 -1.636 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 O LIG 1 5.128 -4.527 -1.328 0.00 0.00 -0.395 OA ATOM 32 H LIG 1 4.684 -4.867 -2.124 0.00 0.00 +0.209 HD ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 33 ATOM 33 C LIG 1 0.307 3.745 1.607 0.00 0.00 +0.097 C BRANCH 33 34 ATOM 34 C LIG 1 -0.694 4.881 1.792 0.00 0.00 +0.151 C BRANCH 34 35 ATOM 35 N LIG 1 -0.908 5.645 0.576 0.00 0.00 -0.271 N ATOM 36 N LIG 1 -1.742 5.189 -0.378 0.00 0.00 -0.180 NA ATOM 37 C LIG 1 -1.721 6.148 -1.306 0.00 0.00 +0.134 A ATOM 38 C LIG 1 -0.851 7.199 -0.968 0.00 0.00 +0.041 A ATOM 39 C LIG 1 -0.335 6.844 0.256 0.00 0.00 +0.108 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 9