REMARK Name = BDB005061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.200 -1.871 1.050 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.519 -1.821 -0.172 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.663 -2.556 -0.393 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -1.186 -3.334 0.661 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -2.465 -4.111 0.520 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -0.508 -3.367 1.888 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.679 -2.653 2.077 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 3.307 -1.144 2.185 0.00 0.00 +0.248 C ATOM 9 N LIG 1 2.378 -1.106 1.162 0.00 0.00 -0.281 N ATOM 10 H LIG 1 2.601 -0.525 0.364 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.334 -1.897 3.152 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 6.522 1.658 1.776 0.00 0.00 +0.120 A ATOM 13 C LIG 1 6.776 0.324 2.103 0.00 0.00 +0.046 A ATOM 14 C LIG 1 5.726 -0.585 2.242 0.00 0.00 +0.016 A ATOM 15 C LIG 1 4.412 -0.164 2.032 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.149 1.171 1.716 0.00 0.00 +0.016 A ATOM 17 C LIG 1 5.205 2.080 1.589 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 7.445 3.799 1.278 0.00 0.00 +0.277 C ATOM 19 O LIG 1 7.639 2.442 1.673 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 3 20 ATOM 20 C LIG 1 -1.286 -2.517 -1.777 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 -2.621 -1.921 -1.792 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -3.165 -2.291 -2.569 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.697 -0.513 -1.832 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -3.969 0.102 -1.905 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -3.980 1.509 -1.928 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.231 2.145 -2.036 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.431 1.417 -2.122 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -6.415 0.035 -2.075 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -2.828 2.213 -1.853 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -1.677 1.527 -1.790 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -5.194 -0.617 -1.958 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -1.556 0.201 -1.780 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -5.374 3.626 -2.064 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -6.316 4.160 -2.640 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -4.454 4.371 -1.401 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -4.522 5.375 -1.465 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -3.568 3.957 -1.122 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7