REMARK Name = BDB048111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.238 2.077 -0.648 0.00 0.00 -0.476 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.432 1.392 -0.756 0.00 0.00 +0.215 A ATOM 3 N LIG 1 -1.496 0.089 -0.413 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 -2.699 -0.513 -0.544 0.00 0.00 +0.118 A ATOM 5 C LIG 1 -3.853 0.124 -0.991 0.00 0.00 -0.028 A ATOM 6 C LIG 1 -3.744 1.474 -1.335 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -2.517 2.119 -1.214 0.00 0.00 +0.067 A BRANCH 5 8 ATOM 8 C LIG 1 -5.161 -0.615 -1.106 0.00 0.00 +0.054 C BRANCH 8 9 ATOM 9 C LIG 1 -6.063 -0.620 0.153 0.00 0.00 +0.066 C ATOM 10 C LIG 1 -5.394 -1.306 1.355 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -6.476 0.803 0.570 0.00 0.00 +0.023 C BRANCH 9 12 ATOM 12 C LIG 1 -7.327 -1.386 -0.226 0.00 0.00 +0.311 C ATOM 13 O LIG 1 -8.416 -0.909 -0.502 0.00 0.00 -0.250 OA BRANCH 12 14 ATOM 14 O LIG 1 -7.148 -2.720 -0.294 0.00 0.00 -0.480 OA ATOM 15 H LIG 1 -8.028 -3.066 -0.556 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 0.854 1.245 -0.242 0.00 0.00 +0.237 C BRANCH 16 17 ATOM 17 C LIG 1 2.103 2.117 -0.160 0.00 0.00 +0.100 C BRANCH 17 20 ATOM 18 C LIG 1 3.249 1.428 2.937 0.00 0.00 +0.088 C ATOM 19 C LIG 1 3.728 1.101 1.584 0.00 0.00 +0.126 A ATOM 20 C LIG 1 3.292 1.360 0.302 0.00 0.00 +0.086 A ATOM 21 N LIG 1 4.159 0.784 -0.600 0.00 0.00 -0.214 NA ATOM 22 C LIG 1 5.077 0.205 0.150 0.00 0.00 +0.228 A ATOM 23 O LIG 1 4.873 0.361 1.497 0.00 0.00 -0.440 OA BRANCH 22 24 ATOM 24 C LIG 1 6.253 -0.561 -0.256 0.00 0.00 +0.037 A ATOM 25 C LIG 1 7.140 -1.115 0.680 0.00 0.00 +0.013 A ATOM 26 C LIG 1 8.257 -1.844 0.261 0.00 0.00 +0.001 A ATOM 27 C LIG 1 8.501 -2.028 -1.098 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.630 -1.485 -2.040 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.514 -0.757 -1.621 0.00 0.00 +0.013 A ENDBRANCH 22 24 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9