REMARK Name = BDB011882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.061 -0.070 0.546 0.00 0.00 +0.237 C ATOM 2 N LIG 1 1.052 -1.014 0.679 0.00 0.00 -0.280 N ATOM 3 C LIG 1 2.443 -0.620 1.030 0.00 0.00 +0.193 C ATOM 4 C LIG 1 3.024 -1.903 1.574 0.00 0.00 -0.014 A ATOM 5 C LIG 1 2.092 -2.942 1.478 0.00 0.00 -0.025 A ATOM 6 C LIG 1 2.392 -4.221 1.917 0.00 0.00 +0.005 A ATOM 7 C LIG 1 3.653 -4.454 2.467 0.00 0.00 +0.000 A ATOM 8 C LIG 1 4.588 -3.414 2.573 0.00 0.00 +0.000 A ATOM 9 C LIG 1 4.275 -2.127 2.129 0.00 0.00 +0.006 A ATOM 10 C LIG 1 0.817 -2.446 0.886 0.00 0.00 +0.144 C ATOM 11 O LIG 1 0.333 1.136 0.597 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 3.270 -0.041 -0.161 0.00 0.00 +0.242 C ATOM 13 N LIG 1 2.548 0.805 -0.988 0.00 0.00 -0.279 N ATOM 14 H LIG 1 1.727 1.242 -0.563 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 4.489 -0.189 -0.245 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 2.997 1.388 -2.195 0.00 0.00 +0.105 A ATOM 17 C LIG 1 2.349 2.552 -2.624 0.00 0.00 +0.147 A ATOM 18 F LIG 1 1.350 3.065 -1.889 0.00 0.00 -0.203 F ATOM 19 C LIG 1 2.716 3.208 -3.799 0.00 0.00 +0.040 A ATOM 20 C LIG 1 3.744 2.692 -4.584 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.379 1.513 -4.193 0.00 0.00 +0.040 A ATOM 22 C LIG 1 4.001 0.865 -3.014 0.00 0.00 +0.147 A ATOM 23 F LIG 1 4.576 -0.316 -2.753 0.00 0.00 -0.203 F ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 -1.378 -0.534 0.215 0.00 0.00 +0.162 C BRANCH 24 26 ATOM 25 C LIG 1 -3.420 0.382 1.300 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -2.273 0.568 0.563 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -1.886 1.500 0.460 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -3.841 -0.741 1.581 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -4.195 1.677 1.664 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -3.309 2.691 2.383 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -6.512 2.104 2.273 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -5.320 1.318 2.556 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -5.528 0.324 2.409 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 -1.507 -0.953 -1.268 0.00 0.00 +0.012 C ATOM 35 C LIG 1 -1.355 0.221 -2.243 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.834 -1.671 -1.528 0.00 0.00 +0.009 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7