REMARK Name = BDB033838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.514 -0.294 -0.419 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 -2.781 -0.117 0.838 0.00 0.00 +0.091 C ATOM 3 C LIG 1 -1.377 0.276 0.356 0.00 0.00 -0.012 C ATOM 4 C LIG 1 -0.579 -0.966 -0.108 0.00 0.00 +0.027 C ATOM 5 C LIG 1 0.835 -0.624 -0.601 0.00 0.00 +0.107 C ATOM 6 N LIG 1 1.338 0.617 0.026 0.00 0.00 -0.315 N ATOM 7 C LIG 1 0.922 0.762 1.423 0.00 0.00 +0.107 C ATOM 8 C LIG 1 -0.593 1.000 1.475 0.00 0.00 +0.027 C ATOM 9 C LIG 1 -1.703 1.193 -0.843 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -3.150 0.873 -1.227 0.00 0.00 +0.085 C ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.748 0.688 -0.126 0.00 0.00 +0.133 A ATOM 12 C LIG 1 3.292 1.241 -1.298 0.00 0.00 +0.043 A ATOM 13 C LIG 1 4.684 1.223 -1.377 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.232 1.762 -2.532 0.00 0.00 +0.139 A ATOM 15 N LIG 1 4.542 2.305 -3.570 0.00 0.00 -0.261 NA ATOM 16 C LIG 1 3.203 2.321 -3.451 0.00 0.00 +0.111 A ATOM 17 N LIG 1 5.465 0.725 -0.408 0.00 0.00 -0.226 NA ATOM 18 C LIG 1 4.855 0.236 0.684 0.00 0.00 +0.162 A ATOM 19 C LIG 1 2.540 1.811 -2.352 0.00 0.00 +0.033 A ATOM 20 N LIG 1 3.525 0.200 0.859 0.00 0.00 -0.212 NA BRANCH 18 21 ATOM 21 C LIG 1 5.703 -0.305 1.762 0.00 0.00 +0.022 A ATOM 22 C LIG 1 5.148 -0.851 2.929 0.00 0.00 +0.031 A ATOM 23 C LIG 1 5.984 -1.349 3.917 0.00 0.00 +0.111 A ATOM 24 N LIG 1 7.329 -1.346 3.831 0.00 0.00 -0.263 NA ATOM 25 C LIG 1 7.859 -0.821 2.708 0.00 0.00 +0.111 A ATOM 26 C LIG 1 7.104 -0.300 1.669 0.00 0.00 +0.031 A ENDBRANCH 18 21 ENDBRANCH 6 11 BRANCH 1 28 ATOM 27 C LIG 1 -5.748 -0.747 -1.540 0.00 0.00 +0.132 C ATOM 28 C LIG 1 -4.965 -0.454 -0.233 0.00 0.00 +0.085 C ATOM 29 C LIG 1 -5.319 -1.665 0.639 0.00 0.00 +0.021 C ATOM 30 C LIG 1 -6.798 -1.867 0.358 0.00 0.00 +0.004 C ATOM 31 C LIG 1 -6.924 -1.649 -1.144 0.00 0.00 +0.033 C BRANCH 27 32 ATOM 32 O LIG 1 -6.253 0.447 -2.130 0.00 0.00 -0.390 OA ATOM 33 H LIG 1 -5.490 0.934 -2.480 0.00 0.00 +0.210 HD ENDBRANCH 27 32 ENDBRANCH 1 28 TORSDOF 4