REMARK Name = BDB010662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.678 -0.160 0.023 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.415 0.314 0.337 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.382 1.654 0.011 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -1.607 1.878 -0.596 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.989 3.052 -1.122 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -1.057 4.004 -1.010 0.00 0.00 +0.220 A ATOM 7 N LIG 1 0.160 3.890 -0.433 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 0.522 2.705 0.105 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.380 0.759 -0.597 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.351 -1.822 1.677 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -2.052 -1.448 0.260 0.00 0.00 -0.293 N ATOM 12 C LIG 1 -3.048 -2.000 -0.693 0.00 0.00 +0.136 C ATOM 13 C LIG 1 -4.486 -1.698 -0.262 0.00 0.00 +0.179 C ATOM 14 O LIG 1 -4.746 -2.177 1.065 0.00 0.00 -0.373 OA ATOM 15 C LIG 1 -3.854 -1.607 2.039 0.00 0.00 +0.136 C ATOM 16 C LIG 1 -4.211 -0.149 2.330 0.00 0.00 +0.040 C BRANCH 10 18 ATOM 17 C LIG 1 -1.722 -3.666 3.341 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -1.919 -3.296 1.877 0.00 0.00 +0.022 C ENDBRANCH 10 18 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C LIG 1 -1.387 5.330 -1.573 0.00 0.00 +0.287 A ATOM 20 O LIG 1 -2.613 5.444 -2.146 0.00 0.00 -0.385 OA ATOM 21 C LIG 1 -2.657 6.733 -2.574 0.00 0.00 +0.436 A ATOM 22 O LIG 1 -3.589 7.265 -3.150 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 -1.460 7.295 -2.228 0.00 0.00 -0.208 N ATOM 24 H LIG 1 -1.185 8.251 -2.412 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 -0.653 6.405 -1.594 0.00 0.00 -0.127 NA ENDBRANCH 6 19 BRANCH 8 26 ATOM 26 C LIG 1 1.823 2.657 0.747 0.00 0.00 +0.022 A ATOM 27 C LIG 1 1.960 2.589 2.140 0.00 0.00 +0.033 A ATOM 28 C LIG 1 3.229 2.542 2.710 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 3.413 2.434 4.412 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 4.333 2.572 1.874 0.00 0.00 +0.130 A ATOM 31 N LIG 1 4.247 2.651 0.525 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 2.999 2.712 -0.001 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 2 33 ATOM 33 C LIG 1 0.700 -0.493 0.802 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 1.717 -0.846 -0.298 0.00 0.00 +0.009 C ATOM 35 C LIG 1 1.144 -1.856 -1.306 0.00 0.00 +0.005 C ATOM 36 C LIG 1 2.180 -2.263 -2.353 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.460 -2.807 -1.709 0.00 0.00 -0.014 C ATOM 38 C LIG 1 4.495 -3.157 -2.776 0.00 0.00 +0.007 C ATOM 39 C LIG 1 4.034 -1.798 -0.707 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.999 -1.399 0.343 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 6