REMARK Name = BDB010883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.425 0.188 -0.481 0.00 0.00 -0.318 N ATOM 2 C LIG 1 -1.092 1.363 -0.190 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.123 0.968 0.646 0.00 0.00 +0.183 A ATOM 4 N LIG 1 -3.014 1.799 1.205 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -2.811 3.080 0.878 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -1.850 3.569 0.067 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -2.132 -0.379 0.826 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -0.970 2.713 -0.500 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -1.116 -0.853 0.127 0.00 0.00 +0.180 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.739 4.071 1.460 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -4.709 3.572 2.270 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -5.408 4.669 2.662 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -6.374 4.676 3.403 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -4.809 5.742 2.062 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -5.099 6.705 2.158 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -3.751 5.363 1.299 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 0.013 3.307 -1.394 0.00 0.00 +0.004 A ATOM 18 C LIG 1 1.105 4.021 -0.879 0.00 0.00 +0.030 A ATOM 19 C LIG 1 2.040 4.599 -1.738 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 3.390 5.442 -1.085 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 1.894 4.492 -3.119 0.00 0.00 +0.020 A ATOM 22 C LIG 1 0.801 3.808 -3.646 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.137 3.225 -2.789 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 C LIG 1 -0.826 -2.285 0.073 0.00 0.00 +0.201 C ATOM 25 O LIG 1 0.103 -2.758 -0.584 0.00 0.00 -0.289 OA BRANCH 24 26 ATOM 26 C LIG 1 -1.760 -3.201 0.875 0.00 0.00 +0.063 C ATOM 27 C LIG 1 -1.076 -4.534 1.204 0.00 0.00 +0.011 C ATOM 28 C LIG 1 -1.965 -5.431 2.067 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -3.456 -5.290 1.758 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.700 -4.798 0.338 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -3.074 -3.421 0.106 0.00 0.00 +0.011 C ENDBRANCH 24 26 ENDBRANCH 9 24 BRANCH 1 32 ATOM 32 C LIG 1 0.779 0.063 -1.288 0.00 0.00 +0.127 C BRANCH 32 37 ATOM 33 C LIG 1 5.849 -1.091 0.619 0.00 0.00 +0.007 C ATOM 34 C LIG 1 4.761 -1.041 -0.455 0.00 0.00 -0.014 C ATOM 35 C LIG 1 4.589 0.399 -0.968 0.00 0.00 +0.003 C ATOM 36 C LIG 1 3.214 0.603 -1.589 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.085 0.427 -0.551 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.475 -0.576 0.555 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.439 -1.646 0.052 0.00 0.00 +0.003 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 6