REMARK Name = BDB015202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.251 0.672 0.609 0.00 0.00 -0.326 N ATOM 2 H LIG 1 0.231 -0.033 1.343 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.381 -0.442 -0.909 0.00 0.00 +0.076 A ATOM 4 N LIG 1 3.041 -0.530 -2.212 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 1.784 -0.191 -2.520 0.00 0.00 +0.223 A ATOM 6 N LIG 1 0.837 0.204 -1.660 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 1.182 0.255 -0.368 0.00 0.00 +0.123 A ATOM 8 C LIG 1 2.463 -0.053 0.052 0.00 0.00 +0.071 A BRANCH 3 15 ATOM 9 C LIG 1 7.483 1.087 2.536 0.00 0.00 +0.149 C ATOM 10 N LIG 1 7.730 -0.006 1.622 0.00 0.00 -0.350 N ATOM 11 C LIG 1 6.819 -0.497 0.710 0.00 0.00 +0.049 A ATOM 12 C LIG 1 7.455 -1.530 0.020 0.00 0.00 -0.000 A ATOM 13 C LIG 1 6.751 -2.204 -0.993 0.00 0.00 +0.010 A ATOM 14 C LIG 1 5.431 -1.827 -1.280 0.00 0.00 +0.011 A ATOM 15 C LIG 1 4.778 -0.797 -0.582 0.00 0.00 +0.002 A ATOM 16 C LIG 1 8.767 -1.650 0.553 0.00 0.00 +0.027 A ATOM 17 C LIG 1 5.493 -0.117 0.426 0.00 0.00 +0.036 A ATOM 18 C LIG 1 8.908 -0.700 1.539 0.00 0.00 +0.086 A ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 -1.107 0.916 0.077 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 C LIG 1 -1.973 1.489 1.217 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 -1.303 2.631 1.784 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -0.349 2.453 1.647 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 -3.368 1.927 0.732 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 -4.176 0.850 0.132 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 -5.315 1.437 -0.605 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -6.296 0.412 -1.134 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -6.358 -0.879 -0.583 0.00 0.00 -0.042 A ATOM 28 C LIG 1 -7.296 -1.800 -1.069 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -8.186 -1.434 -2.078 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -8.141 -0.148 -2.612 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.373 -1.288 0.480 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -7.204 0.771 -2.142 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.689 -0.086 1.147 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7