REMARK Name = BDB035898 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.401 -1.722 3.621 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -1.569 -1.286 2.194 0.00 0.00 -0.007 A ATOM 3 C LIG 1 -0.499 -0.729 1.478 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -0.670 -0.337 0.152 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.469 0.246 -0.582 0.00 0.00 +0.200 A ATOM 6 C LIG 1 1.757 0.365 0.160 0.00 0.00 +0.064 A ATOM 7 C LIG 1 1.756 -0.050 1.437 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.338 0.609 -1.746 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 -1.909 -0.492 -0.481 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -2.990 -1.043 0.216 0.00 0.00 -0.032 A ATOM 11 O LIG 1 0.701 -0.589 2.131 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 -2.807 -1.442 1.551 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 2.978 0.935 -0.447 0.00 0.00 -0.011 A ATOM 14 C LIG 1 4.229 0.316 -0.277 0.00 0.00 +0.013 A ATOM 15 C LIG 1 5.428 0.829 -0.828 0.00 0.00 -0.033 A ATOM 16 C LIG 1 5.306 2.008 -1.587 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.074 2.637 -1.779 0.00 0.00 +0.001 A ATOM 18 C LIG 1 2.919 2.104 -1.211 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 6.828 0.088 -0.573 0.00 0.00 +0.056 C ATOM 20 C LIG 1 6.923 -1.387 -1.114 0.00 0.00 +0.022 C ATOM 21 C LIG 1 8.403 -1.118 -1.470 0.00 0.00 -0.012 C ATOM 22 C LIG 1 8.910 -1.734 -2.759 0.00 0.00 +0.007 C ATOM 23 C LIG 1 8.044 0.386 -1.518 0.00 0.00 +0.022 C BRANCH 19 24 ATOM 24 C LIG 1 7.217 0.211 0.966 0.00 0.00 +0.144 A ATOM 25 N LIG 1 7.442 1.355 1.683 0.00 0.00 -0.320 N ATOM 26 C LIG 1 7.377 2.716 1.229 0.00 0.00 +0.151 C ATOM 27 C LIG 1 7.722 0.954 2.953 0.00 0.00 +0.224 A ATOM 28 N LIG 1 7.669 -0.355 3.022 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 7.346 -0.824 1.772 0.00 0.00 -0.134 NA ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 -4.335 -1.223 -0.462 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -5.438 -0.549 0.250 0.00 0.00 -0.293 NA ATOM 32 C LIG 1 -6.756 -0.977 -0.313 0.00 0.00 +0.074 C ATOM 33 C LIG 1 -7.534 0.135 -1.090 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -6.628 0.883 -1.974 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 -7.349 1.813 -2.835 0.00 0.00 +0.105 C ATOM 36 C LIG 1 -5.592 1.573 -1.183 0.00 0.00 +0.099 C ATOM 37 C LIG 1 -5.303 0.921 0.192 0.00 0.00 +0.100 C BRANCH 32 38 ATOM 38 C LIG 1 -7.593 -1.653 0.814 0.00 0.00 +0.001 C ATOM 39 C LIG 1 -7.903 -0.736 2.002 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -8.896 -2.253 0.276 0.00 0.00 +0.009 C ENDBRANCH 32 38 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6