REMARK Name = BDB058034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.358 -1.772 -2.044 0.00 0.00 -0.021 A ATOM 2 C LIG 1 2.035 -1.943 -0.691 0.00 0.00 +0.009 A ATOM 3 C LIG 1 0.765 -2.388 -0.308 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -0.200 -2.669 -1.279 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.125 -2.543 -2.633 0.00 0.00 +0.013 A ATOM 6 C LIG 1 1.396 -2.097 -3.011 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 5.413 1.881 0.660 0.00 0.00 +0.079 A ATOM 8 C LIG 1 5.257 1.037 -0.423 0.00 0.00 +0.152 A ATOM 9 O LIG 1 4.178 0.226 -0.689 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 4.468 -0.435 -1.874 0.00 0.00 +0.176 C ATOM 11 C LIG 1 5.790 -0.007 -2.401 0.00 0.00 +0.231 C ATOM 12 O LIG 1 6.364 -0.352 -3.411 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 3.684 -1.325 -2.497 0.00 0.00 +0.058 C ATOM 14 C LIG 1 6.243 0.955 -1.404 0.00 0.00 +0.068 A ATOM 15 C LIG 1 7.410 1.694 -1.360 0.00 0.00 +0.015 A ATOM 16 C LIG 1 7.581 2.550 -0.271 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.595 2.643 0.733 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 4.219 3.143 2.354 0.00 0.00 -0.325 N ATOM 19 H LIG 1 4.566 4.008 1.965 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 3.427 3.204 2.983 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 4.382 1.942 1.720 0.00 0.00 +0.245 C ATOM 22 O LIG 1 3.694 0.975 2.015 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 -1.558 -3.149 -0.916 0.00 0.00 +0.247 C ATOM 24 N LIG 1 -2.136 -2.634 0.229 0.00 0.00 -0.296 N ATOM 25 C LIG 1 -2.101 -1.236 0.681 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -3.377 -1.563 1.477 0.00 0.00 +0.090 C ATOM 27 C LIG 1 -3.566 -2.757 0.530 0.00 0.00 +0.120 C ATOM 28 O LIG 1 -2.121 -3.975 -1.630 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.487 -0.477 1.416 0.00 0.00 +0.114 A ATOM 30 N LIG 1 -5.833 -0.727 1.468 0.00 0.00 -0.341 N ATOM 31 H LIG 1 -6.268 -1.635 1.537 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 -6.491 0.475 1.402 0.00 0.00 +0.066 A ATOM 33 C LIG 1 -5.473 1.419 1.323 0.00 0.00 +0.089 A ATOM 34 C LIG 1 -5.804 2.779 1.245 0.00 0.00 +0.030 A ATOM 35 C LIG 1 -7.157 3.142 1.246 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -8.159 2.170 1.325 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -7.847 0.808 1.406 0.00 0.00 +0.028 A ATOM 38 N LIG 1 -4.240 0.813 1.340 0.00 0.00 -0.232 NA ENDBRANCH 26 29 ENDBRANCH 4 23 TORSDOF 4