REMARK Name = BDB007771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.802 -1.008 -0.874 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -2.376 -0.188 -0.068 0.00 0.00 +0.246 C ATOM 3 N LIG 1 -1.042 0.136 0.046 0.00 0.00 -0.309 N ATOM 4 H LIG 1 -0.777 1.017 0.474 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -3.318 0.530 0.822 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -4.662 0.647 0.448 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -5.574 1.292 1.284 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -5.055 1.842 2.461 0.00 0.00 +0.133 A ATOM 9 N LIG 1 -3.766 1.736 2.867 0.00 0.00 -0.261 NA ATOM 10 C LIG 1 -2.928 1.069 2.039 0.00 0.00 +0.123 A BRANCH 7 11 ATOM 11 N LIG 1 -6.924 1.502 0.929 0.00 0.00 -0.335 N ATOM 12 H LIG 1 -7.513 1.612 1.756 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 C LIG 1 -7.618 0.821 -0.142 0.00 0.00 +0.122 C ATOM 14 C LIG 1 -8.160 -0.560 0.261 0.00 0.00 +0.184 C ATOM 15 O LIG 1 -9.488 -0.011 0.476 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -9.104 1.203 -0.222 0.00 0.00 +0.184 C ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 2 5 BRANCH 3 17 ATOM 17 C LIG 1 -0.069 -0.377 -0.905 0.00 0.00 +0.137 C BRANCH 17 18 ATOM 18 C LIG 1 1.355 -0.200 -0.371 0.00 0.00 +0.145 C BRANCH 18 19 ATOM 19 O LIG 1 1.578 1.193 -0.088 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 2.553 1.300 -0.130 0.00 0.00 +0.210 HD ENDBRANCH 18 19 BRANCH 18 21 ATOM 21 C LIG 1 2.402 -0.684 -1.395 0.00 0.00 +0.117 C BRANCH 21 22 ATOM 22 N LIG 1 3.779 -0.321 -0.986 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 4.230 -1.131 0.169 0.00 0.00 +0.120 C ATOM 24 C LIG 1 5.693 -0.947 0.513 0.00 0.00 -0.030 A ATOM 25 C LIG 1 6.599 -0.432 -0.430 0.00 0.00 -0.042 A ATOM 26 C LIG 1 7.954 -0.298 -0.095 0.00 0.00 +0.004 A ATOM 27 C LIG 1 8.412 -0.697 1.159 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.521 -1.227 2.090 0.00 0.00 +0.000 A ATOM 29 C LIG 1 6.101 0.033 -1.773 0.00 0.00 +0.051 C ATOM 30 C LIG 1 6.169 -1.354 1.768 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.713 -0.526 -2.109 0.00 0.00 +0.089 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 8