REMARK Name = BDB004923 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.074 -1.523 -2.308 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -1.402 -0.892 -1.085 0.00 0.00 +0.099 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.054 -1.338 -0.983 0.00 0.00 -0.026 A ATOM 4 C LIG 1 1.090 -0.389 -1.066 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.437 -0.768 -0.968 0.00 0.00 +0.034 A ATOM 6 C LIG 1 2.746 -2.115 -0.778 0.00 0.00 +0.023 A ATOM 7 C LIG 1 1.729 -3.069 -0.691 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.393 -2.684 -0.791 0.00 0.00 +0.005 A BRANCH 5 9 ATOM 9 N LIG 1 3.403 0.257 -1.060 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.040 1.189 -1.206 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 4.778 0.117 -1.031 0.00 0.00 +0.250 C ATOM 12 O LIG 1 5.416 -0.925 -0.963 0.00 0.00 -0.270 OA BRANCH 11 13 ATOM 13 C LIG 1 5.489 1.434 -1.136 0.00 0.00 +0.053 C ATOM 14 C LIG 1 5.155 2.559 -0.276 0.00 0.00 +0.012 C ATOM 15 C LIG 1 6.006 3.592 -0.159 0.00 0.00 -0.005 C ATOM 16 C LIG 1 7.286 3.611 -0.946 0.00 0.00 +0.150 C ATOM 17 N LIG 1 7.205 2.818 -2.225 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 6.614 3.388 -2.861 0.00 0.00 +0.171 HD ATOM 19 O LIG 1 8.418 2.567 -2.768 0.00 0.00 -0.108 OA ATOM 20 C LIG 1 6.500 1.521 -2.022 0.00 0.00 +0.101 C ENDBRANCH 11 13 ENDBRANCH 5 9 ENDBRANCH 2 3 BRANCH 2 21 ATOM 21 N LIG 1 -2.088 -1.291 0.149 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -1.454 -1.240 0.944 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.268 -0.596 0.487 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -3.980 -0.972 1.647 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -5.139 -0.229 1.946 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.856 -0.580 3.110 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -5.436 -1.640 3.938 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -4.305 -2.375 3.624 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -5.531 0.778 1.134 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -4.794 1.031 0.046 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -3.584 -2.045 2.485 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -3.682 0.396 -0.314 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -7.097 0.129 3.555 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -7.675 -0.177 4.593 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -7.586 1.136 2.778 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -7.113 1.411 1.922 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -8.419 1.624 3.074 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 2 21 TORSDOF 6