REMARK Name = BDB026501 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.032 0.589 0.904 0.00 0.00 -0.288 N ATOM 2 C LIG 1 1.349 1.559 0.157 0.00 0.00 +0.070 A ATOM 3 C LIG 1 0.363 0.908 -0.591 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -0.486 1.603 -1.427 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.323 2.990 -1.502 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.674 3.644 -0.751 0.00 0.00 +0.002 A ATOM 7 N LIG 1 0.448 -0.463 -0.313 0.00 0.00 -0.290 N ATOM 8 C LIG 1 1.526 2.925 0.093 0.00 0.00 +0.028 A ATOM 9 C LIG 1 1.488 -0.678 0.615 0.00 0.00 +0.331 A ATOM 10 O LIG 1 1.840 -1.751 1.079 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.149 0.822 1.782 0.00 0.00 +0.162 C BRANCH 11 18 ATOM 12 C LIG 1 6.659 -2.103 -1.516 0.00 0.00 +0.150 C ATOM 13 N LIG 1 6.959 -0.741 -1.157 0.00 0.00 -0.333 N ATOM 14 C LIG 1 6.190 0.073 -0.363 0.00 0.00 +0.069 A ATOM 15 C LIG 1 6.897 1.271 -0.325 0.00 0.00 +0.089 A ATOM 16 C LIG 1 6.385 2.347 0.413 0.00 0.00 +0.030 A ATOM 17 C LIG 1 5.168 2.184 1.091 0.00 0.00 +0.007 A ATOM 18 C LIG 1 4.461 0.972 1.040 0.00 0.00 -0.026 A ATOM 19 N LIG 1 8.053 1.186 -1.064 0.00 0.00 -0.236 NA ATOM 20 C LIG 1 4.976 -0.114 0.307 0.00 0.00 +0.033 A ATOM 21 C LIG 1 8.059 -0.034 -1.551 0.00 0.00 +0.200 A ENDBRANCH 11 18 ENDBRANCH 1 11 BRANCH 7 22 ATOM 22 C LIG 1 -0.383 -1.504 -0.871 0.00 0.00 +0.159 C BRANCH 22 23 ATOM 23 C LIG 1 -1.388 -2.092 0.132 0.00 0.00 +0.148 C BRANCH 23 24 ATOM 24 O LIG 1 -1.980 -3.279 -0.419 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.487 -3.699 0.297 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -2.479 -1.092 0.594 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.209 -0.363 -0.465 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.086 0.675 0.112 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.382 0.157 0.701 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -5.923 -1.075 0.286 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.141 -1.514 0.819 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.831 -0.729 1.742 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.307 0.498 2.142 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.165 -1.950 -0.683 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.091 0.942 1.622 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.006 -1.210 -1.366 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 7