REMARK Name = BDB006306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.211 -0.661 0.123 0.00 0.00 -0.229 N ATOM 2 C LIG 1 1.471 0.484 -0.249 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.151 0.101 -0.111 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.262 0.545 -0.266 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.002 -0.705 0.041 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.156 -1.754 0.483 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.465 -2.839 0.949 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.178 -1.212 0.342 0.00 0.00 +0.154 A ATOM 9 N LIG 1 1.401 -1.668 0.565 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.341 -0.894 -0.272 0.00 0.00 +0.103 A ATOM 11 C LIG 1 -3.768 -2.200 -0.928 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -2.933 -2.958 -1.419 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.144 -2.418 -1.028 0.00 0.00 -0.316 N ATOM 14 C LIG 1 -5.605 -3.675 -1.595 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.067 -1.423 -0.776 0.00 0.00 +0.092 A ATOM 16 C LIG 1 -5.689 -0.209 -0.351 0.00 0.00 -0.032 A ATOM 17 C LIG 1 -6.657 0.904 -0.088 0.00 0.00 +0.045 C ATOM 18 C LIG 1 -4.287 0.043 -0.086 0.00 0.00 +0.033 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.497 1.665 0.730 0.00 0.00 -0.022 A ATOM 20 C LIG 1 -1.855 2.941 0.254 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.104 3.992 1.140 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.004 3.781 2.513 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.312 5.076 3.601 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -1.660 2.526 3.007 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.412 1.473 2.123 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 6.190 -1.506 -0.431 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.634 -1.920 0.712 0.00 0.00 -0.158 NA ATOM 28 C LIG 1 4.326 -1.634 0.886 0.00 0.00 +0.247 A ATOM 29 C LIG 1 3.586 -0.921 -0.035 0.00 0.00 +0.145 A ATOM 30 C LIG 1 4.255 -0.559 -1.182 0.00 0.00 +0.149 A ATOM 31 N LIG 1 5.558 -0.825 -1.402 0.00 0.00 -0.201 NA BRANCH 26 33 ATOM 32 C LIG 1 8.066 -1.426 -1.819 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.525 -1.818 -0.566 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.758 -1.945 2.104 0.00 0.00 -0.478 OA ATOM 35 C LIG 1 4.473 -2.944 2.823 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 2.087 1.813 -0.610 0.00 0.00 +0.032 C ATOM 37 C LIG 1 1.459 2.405 -1.872 0.00 0.00 +0.014 C ATOM 38 C LIG 1 2.016 2.795 0.560 0.00 0.00 +0.014 C ENDBRANCH 2 36 TORSDOF 6