REMARK Name = BDB016499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.789 -0.036 3.085 0.00 0.00 +0.172 C ATOM 2 N LIG 1 -3.347 0.323 1.759 0.00 0.00 -0.272 N ATOM 3 N LIG 1 -2.750 1.508 1.565 0.00 0.00 -0.165 NA ATOM 4 C LIG 1 -2.458 1.520 0.251 0.00 0.00 +0.168 A ATOM 5 C LIG 1 -1.629 2.580 -0.340 0.00 0.00 +0.266 C ATOM 6 N LIG 1 -0.614 2.082 -1.136 0.00 0.00 -0.307 N ATOM 7 H LIG 1 -0.456 1.079 -1.104 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 0.479 2.908 -1.605 0.00 0.00 +0.137 C ATOM 9 C LIG 1 1.394 3.501 -0.508 0.00 0.00 +0.149 C ATOM 10 O LIG 1 2.598 4.058 -1.085 0.00 0.00 -0.372 OA ATOM 11 C LIG 1 3.532 3.051 -1.497 0.00 0.00 +0.175 C ATOM 12 C LIG 1 3.874 2.070 -0.365 0.00 0.00 +0.112 C ATOM 13 N LIG 1 2.660 1.442 0.211 0.00 0.00 -0.296 NA ATOM 14 C LIG 1 3.002 0.579 1.368 0.00 0.00 +0.108 C ATOM 15 C LIG 1 3.515 -0.812 0.965 0.00 0.00 +0.159 C ATOM 16 N LIG 1 2.454 -1.797 0.844 0.00 0.00 -0.270 N ATOM 17 N LIG 1 2.480 -2.912 1.604 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 1.370 -3.564 1.243 0.00 0.00 +0.144 A ATOM 19 C LIG 1 0.630 -2.881 0.253 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -0.620 -3.193 -0.412 0.00 0.00 +0.075 A ATOM 21 N LIG 1 -1.246 -2.145 -0.992 0.00 0.00 -0.242 NA ATOM 22 C LIG 1 -2.417 -2.390 -1.634 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -3.044 -1.218 -2.313 0.00 0.00 +0.267 C ATOM 24 N LIG 1 -2.892 0.029 -1.742 0.00 0.00 -0.277 N ATOM 25 H LIG 1 -2.939 0.810 -2.386 0.00 0.00 +0.155 HD ATOM 26 O LIG 1 -3.569 -1.356 -3.417 0.00 0.00 -0.268 OA ATOM 27 C LIG 1 -2.984 -3.650 -1.750 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -2.330 -4.714 -1.135 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -1.134 -4.485 -0.452 0.00 0.00 +0.028 A ATOM 30 C LIG 1 1.380 -1.748 0.005 0.00 0.00 +0.118 A ATOM 31 C LIG 1 1.760 2.537 0.645 0.00 0.00 +0.117 C ATOM 32 O LIG 1 -1.765 3.776 -0.103 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -2.927 0.331 -0.388 0.00 0.00 +0.084 A ATOM 34 C LIG 1 -3.466 -0.426 0.626 0.00 0.00 +0.132 A ENDROOT TORSDOF 0