REMARK Name = BDB055459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.604 -2.966 -0.251 0.00 0.00 +0.215 A ATOM 2 N LIG 1 1.381 -2.674 0.192 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.123 -1.403 0.539 0.00 0.00 +0.127 A ATOM 4 C LIG 1 2.117 -0.442 0.475 0.00 0.00 +0.072 A ATOM 5 C LIG 1 3.364 -0.830 0.021 0.00 0.00 +0.078 A ATOM 6 N LIG 1 3.616 -2.105 -0.335 0.00 0.00 -0.215 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.508 0.105 -0.087 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.824 -0.363 0.114 0.00 0.00 +0.037 A ATOM 9 C LIG 1 6.884 0.545 0.013 0.00 0.00 +0.068 A ATOM 10 C LIG 1 6.706 1.890 -0.282 0.00 0.00 +0.041 A ATOM 11 C LIG 1 8.019 2.433 -0.283 0.00 0.00 +0.146 A ATOM 12 N LIG 1 8.944 1.519 -0.008 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 5.402 2.365 -0.499 0.00 0.00 +0.014 A ATOM 14 N LIG 1 8.237 0.387 0.148 0.00 0.00 -0.275 N ATOM 15 H LIG 1 8.740 -0.469 0.353 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 4.325 1.466 -0.401 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 8.313 3.721 -0.515 0.00 0.00 -0.341 N ATOM 18 H LIG 1 9.252 4.003 -0.253 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 7.617 4.431 -0.329 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 3 20 ATOM 20 N LIG 1 -0.160 -1.046 1.021 0.00 0.00 -0.314 N ATOM 21 C LIG 1 -0.799 0.007 0.195 0.00 0.00 +0.119 C ATOM 22 C LIG 1 -2.266 0.260 0.603 0.00 0.00 +0.092 C ATOM 23 C LIG 1 -2.562 -0.291 2.001 0.00 0.00 +0.016 C ATOM 24 C LIG 1 -2.221 -1.777 2.122 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -1.027 -2.205 1.263 0.00 0.00 +0.106 C BRANCH 22 26 ATOM 26 C LIG 1 -3.254 -0.279 -0.431 0.00 0.00 +0.218 C ATOM 27 N LIG 1 -4.566 0.080 -0.185 0.00 0.00 -0.312 N ATOM 28 H LIG 1 -4.746 0.804 0.499 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 -2.927 -0.961 -1.396 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 -5.631 -0.266 -1.114 0.00 0.00 +0.073 C ATOM 31 C LIG 1 -5.720 0.726 -2.272 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -6.490 1.912 -1.698 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -7.356 1.348 -0.572 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -7.004 -0.135 -0.461 0.00 0.00 +0.022 C ENDBRANCH 27 30 ENDBRANCH 22 26 ENDBRANCH 3 20 BRANCH 1 35 ATOM 35 N LIG 1 2.856 -4.278 -0.598 0.00 0.00 -0.327 N ATOM 36 H LIG 1 2.202 -4.884 -0.124 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 3.840 -4.476 -0.498 0.00 0.00 +0.145 HD ENDBRANCH 1 35 TORSDOF 6