REMARK Name = BDB039396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.350 -0.840 -2.016 0.00 0.00 -0.344 N ATOM 2 C LIG 1 -3.216 -0.610 -1.247 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -2.158 -0.505 -2.164 0.00 0.00 +0.110 A ATOM 4 N LIG 1 -0.868 -0.264 -1.827 0.00 0.00 -0.243 NA ATOM 5 C LIG 1 -0.614 -0.121 -0.514 0.00 0.00 +0.072 A ATOM 6 C LIG 1 -1.603 -0.234 0.460 0.00 0.00 +0.035 A ATOM 7 C LIG 1 -2.682 -0.688 -3.467 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -2.956 -0.482 0.136 0.00 0.00 -0.006 A ATOM 9 C LIG 1 -4.027 -0.891 -3.356 0.00 0.00 +0.111 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 0.801 0.149 -0.175 0.00 0.00 +0.001 A ATOM 11 C LIG 1 1.836 -0.454 -0.925 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.158 -0.193 -0.600 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.410 -0.712 -1.217 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.447 -0.010 -0.472 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.924 0.741 0.566 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.520 1.339 1.438 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.464 0.658 0.456 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.495 1.275 1.218 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.159 1.017 0.891 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.859 -0.306 -0.681 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.400 -1.154 0.470 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.974 -2.285 0.709 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.355 -0.583 1.272 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.684 -1.153 2.038 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 8.834 0.700 1.247 0.00 0.00 +0.219 C ATOM 26 O LIG 1 9.671 1.069 2.069 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 8.281 1.630 0.197 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.741 0.894 -1.015 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 5 10 BRANCH 7 29 ATOM 29 N LIG 1 -1.994 -0.664 -4.624 0.00 0.00 -0.355 N ATOM 30 H LIG 1 -2.466 -0.491 -5.504 0.00 0.00 +0.142 HD ATOM 31 H LIG 1 -1.044 -0.299 -4.595 0.00 0.00 +0.142 HD ENDBRANCH 7 29 BRANCH 1 33 ATOM 32 C LIG 1 -6.050 -2.413 -1.157 0.00 0.00 +0.027 C ATOM 33 C LIG 1 -5.723 -0.988 -1.565 0.00 0.00 +0.118 C ENDBRANCH 1 33 BRANCH 8 34 ATOM 34 C LIG 1 -3.935 -0.601 1.288 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 N LIG 1 -3.967 0.609 2.129 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -4.654 1.734 1.476 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -6.130 1.609 1.832 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.185 0.628 2.993 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -4.732 0.388 3.364 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 6