REMARK Name = BDB038715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.384 1.233 -0.919 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.193 0.498 -0.848 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.177 0.889 0.017 0.00 0.00 +0.129 A ATOM 4 N LIG 1 1.306 2.000 0.766 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 2.422 2.759 0.688 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.477 2.388 -0.139 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.005 0.116 0.141 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -1.074 0.433 0.968 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.286 1.373 1.710 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.052 -0.651 0.810 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -1.538 -1.575 -0.088 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -2.272 -2.690 -0.414 0.00 0.00 +0.129 A ATOM 13 C LIG 1 -3.526 -2.878 0.165 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -4.050 -1.935 1.081 0.00 0.00 -0.030 A ATOM 15 F LIG 1 -1.792 -3.587 -1.284 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.293 -0.799 1.408 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -0.197 -1.144 -0.559 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 -5.418 -2.151 1.697 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 -6.488 -2.173 0.695 0.00 0.00 -0.295 NA ATOM 20 C LIG 1 -6.671 -0.904 -0.051 0.00 0.00 +0.060 C ATOM 21 C LIG 1 -7.996 -0.305 0.336 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -8.586 -1.180 1.397 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -6.729 0.457 0.583 0.00 0.00 +0.024 C ATOM 24 C LIG 1 -7.801 -2.496 1.290 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 5.069 -0.506 -1.697 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.508 0.794 -1.773 0.00 0.00 -0.007 A ATOM 27 C LIG 1 5.043 1.690 -2.720 0.00 0.00 +0.010 A ATOM 28 C LIG 1 6.087 1.315 -3.570 0.00 0.00 +0.019 A ATOM 29 C LIG 1 6.620 0.027 -3.499 0.00 0.00 +0.052 A ATOM 30 C LIG 1 6.108 -0.879 -2.568 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 5.454 -0.549 1.417 0.00 0.00 +0.152 C ATOM 32 N LIG 1 4.740 -1.500 0.609 0.00 0.00 -0.317 N ATOM 33 C LIG 1 4.584 -1.513 -0.755 0.00 0.00 +0.164 A ATOM 34 N LIG 1 3.887 -2.587 -1.079 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 3.555 -3.255 0.075 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 4.077 -2.592 1.080 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 7.685 -0.361 -4.376 0.00 0.00 +0.099 C ATOM 38 N LIG 1 8.556 -0.667 -5.079 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 2.511 4.001 1.542 0.00 0.00 +0.038 C ATOM 40 C LIG 1 2.491 5.367 0.895 0.00 0.00 +0.010 C ATOM 41 C LIG 1 1.306 4.903 1.687 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 7