REMARK Name = BDB014156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.905 1.290 -1.115 0.00 0.00 -0.336 N ATOM 2 C LIG 1 -0.885 1.953 -0.497 0.00 0.00 +0.117 A ATOM 3 C LIG 1 0.225 1.150 -0.667 0.00 0.00 +0.107 A ATOM 4 N LIG 1 -0.111 0.021 -1.389 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 -1.394 0.141 -1.648 0.00 0.00 +0.200 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 1.563 1.434 -0.167 0.00 0.00 +0.091 A ATOM 7 N LIG 1 1.737 2.599 0.508 0.00 0.00 -0.253 NA ATOM 8 C LIG 1 2.978 2.869 0.960 0.00 0.00 +0.112 A ATOM 9 C LIG 1 4.061 2.027 0.781 0.00 0.00 +0.030 A ATOM 10 C LIG 1 3.869 0.823 0.100 0.00 0.00 +0.008 A ATOM 11 C LIG 1 2.597 0.530 -0.392 0.00 0.00 +0.040 A BRANCH 10 12 ATOM 12 C LIG 1 4.999 -0.063 -0.095 0.00 0.00 +0.124 A ATOM 13 C LIG 1 5.020 -1.440 -0.112 0.00 0.00 +0.166 A ATOM 14 N LIG 1 6.335 -1.745 -0.308 0.00 0.00 -0.253 N ATOM 15 H LIG 1 6.784 -2.653 -0.380 0.00 0.00 +0.191 HD ATOM 16 N LIG 1 7.091 -0.643 -0.384 0.00 0.00 -0.067 NA ATOM 17 N LIG 1 6.284 0.399 -0.247 0.00 0.00 -0.129 NA BRANCH 13 18 ATOM 18 C LIG 1 4.028 -2.495 0.048 0.00 0.00 +0.436 C ATOM 19 F LIG 1 3.182 -2.265 1.079 0.00 0.00 -0.164 F ATOM 20 F LIG 1 3.280 -2.659 -1.068 0.00 0.00 -0.164 F ATOM 21 F LIG 1 4.625 -3.692 0.292 0.00 0.00 -0.164 F ENDBRANCH 13 18 ENDBRANCH 10 12 ENDBRANCH 3 6 BRANCH 1 22 ATOM 22 C LIG 1 -3.280 1.734 -1.211 0.00 0.00 +0.127 C BRANCH 22 23 ATOM 23 C LIG 1 -4.085 1.502 0.071 0.00 0.00 +0.062 C BRANCH 23 29 ATOM 24 F LIG 1 -4.711 -3.953 1.360 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -4.564 -2.656 1.057 0.00 0.00 +0.129 A ATOM 26 C LIG 1 -5.224 -2.136 -0.048 0.00 0.00 +0.077 A ATOM 27 C LIG 1 -5.065 -0.789 -0.354 0.00 0.00 +0.132 A ATOM 28 F LIG 1 -5.697 -0.290 -1.425 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -4.260 0.048 0.423 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -3.613 -0.511 1.529 0.00 0.00 +0.132 A ATOM 31 F LIG 1 -2.836 0.257 2.305 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -3.757 -1.855 1.852 0.00 0.00 +0.077 A ENDBRANCH 23 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 6