REMARK Name = BDB027822 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.397 0.736 -0.122 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.151 2.040 -0.298 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.540 2.153 -0.496 0.00 0.00 +0.091 A ATOM 4 C LIG 1 2.042 3.433 -0.687 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.322 4.584 -0.689 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.005 4.453 -0.473 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.373 1.097 -0.496 0.00 0.00 -0.245 NA ATOM 8 C LIG 1 1.864 -0.132 -0.266 0.00 0.00 +0.075 A ATOM 9 C LIG 1 -0.614 3.230 -0.275 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.498 -0.334 -0.077 0.00 0.00 +0.052 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.848 -1.226 -0.243 0.00 0.00 +0.022 A ATOM 12 C LIG 1 4.014 -1.160 -1.000 0.00 0.00 +0.145 A ATOM 13 N LIG 1 4.952 -2.136 -1.032 0.00 0.00 -0.157 NA ATOM 14 N LIG 1 4.776 -3.250 -0.282 0.00 0.00 -0.158 NA ATOM 15 C LIG 1 3.674 -3.356 0.484 0.00 0.00 +0.135 A ATOM 16 C LIG 1 2.695 -2.379 0.532 0.00 0.00 +0.033 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.772 0.597 0.072 0.00 0.00 -0.339 N ATOM 18 H LIG 1 -2.279 1.228 -0.548 0.00 0.00 +0.147 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.146 -1.252 1.702 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.574 -0.600 0.380 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -4.028 -0.104 0.570 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -2.572 -1.594 -0.787 0.00 0.00 +0.031 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3