REMARK Name = BDB014549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.084 -4.696 -0.102 0.00 0.00 +0.251 C ATOM 2 N LIG 1 0.058 -4.199 0.656 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -0.375 -4.912 1.233 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.259 -5.917 -0.117 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 1.916 -3.768 -0.989 0.00 0.00 +0.324 C BRANCH 5 6 ATOM 6 O LIG 1 2.398 -2.636 -0.280 0.00 0.00 -0.481 OA BRANCH 6 9 ATOM 7 C LIG 1 3.633 0.738 -0.924 0.00 0.00 +0.051 A ATOM 8 C LIG 1 3.138 -0.422 -0.306 0.00 0.00 +0.071 A ATOM 9 C LIG 1 2.898 -1.604 -1.018 0.00 0.00 +0.141 A ATOM 10 C LIG 1 3.193 -1.610 -2.371 0.00 0.00 +0.156 A ATOM 11 N LIG 1 3.673 -0.537 -3.032 0.00 0.00 -0.258 NA ATOM 12 C LIG 1 3.886 0.588 -2.295 0.00 0.00 +0.134 A BRANCH 7 14 ATOM 13 C LIG 1 4.275 3.122 -0.942 0.00 0.00 +0.129 C ATOM 14 N LIG 1 3.889 1.916 -0.209 0.00 0.00 -0.335 N ATOM 15 C LIG 1 3.143 2.152 1.029 0.00 0.00 +0.129 C ENDBRANCH 7 14 ENDBRANCH 6 9 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 16 ATOM 16 C LIG 1 -0.267 -2.806 0.967 0.00 0.00 +0.136 C BRANCH 16 17 ATOM 17 C LIG 1 -0.984 -2.097 -0.193 0.00 0.00 +0.145 C BRANCH 17 18 ATOM 18 O LIG 1 -2.259 -2.713 -0.430 0.00 0.00 -0.389 OA ATOM 19 H LIG 1 -2.088 -3.673 -0.480 0.00 0.00 +0.210 HD ENDBRANCH 17 18 BRANCH 17 20 ATOM 20 C LIG 1 -1.135 -0.574 0.031 0.00 0.00 +0.117 C BRANCH 20 21 ATOM 21 N LIG 1 -1.613 -0.150 1.365 0.00 0.00 -0.295 NA ATOM 22 C LIG 1 -1.525 1.319 1.513 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -2.594 2.103 0.777 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -3.823 1.505 0.440 0.00 0.00 -0.042 A ATOM 25 C LIG 1 -4.805 2.256 -0.223 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -4.581 3.598 -0.525 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.375 4.200 -0.172 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.061 0.041 0.724 0.00 0.00 +0.051 C ATOM 29 C LIG 1 -2.386 3.459 0.479 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -2.999 -0.565 1.657 0.00 0.00 +0.089 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 2 16 TORSDOF 9