REMARK Name = BDB062144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.453 -2.136 3.135 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.041 -1.173 2.086 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -0.513 -1.142 0.784 0.00 0.00 +0.008 A ATOM 4 C LIG 1 0.030 -0.275 -0.187 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -0.475 -0.210 -1.603 0.00 0.00 +0.044 C ATOM 6 C LIG 1 1.075 0.594 0.175 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.615 0.588 1.467 0.00 0.00 -0.030 A ATOM 8 C LIG 1 1.103 -0.312 2.408 0.00 0.00 +0.009 A ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 -1.629 -2.021 0.465 0.00 0.00 +0.097 A ATOM 10 C LIG 1 -2.960 -1.640 0.340 0.00 0.00 +0.077 A ATOM 11 N LIG 1 -3.620 -2.836 0.141 0.00 0.00 -0.333 N ATOM 12 C LIG 1 -5.045 -3.037 0.030 0.00 0.00 +0.150 C ATOM 13 C LIG 1 -2.691 -3.837 0.104 0.00 0.00 +0.200 A ATOM 14 N LIG 1 -1.479 -3.378 0.307 0.00 0.00 -0.235 NA BRANCH 10 15 ATOM 15 C LIG 1 -3.616 -0.334 0.462 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -4.204 0.335 -0.650 0.00 0.00 -0.007 A ATOM 17 C LIG 1 -4.854 1.584 -0.445 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.442 2.231 -1.560 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -5.391 1.685 -2.842 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -4.744 0.478 -3.048 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.885 2.135 0.862 0.00 0.00 +0.059 A ATOM 22 C LIG 1 -4.287 1.468 1.937 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -4.159 -0.183 -1.968 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -3.659 0.245 1.737 0.00 0.00 +0.012 A BRANCH 21 25 ATOM 25 C LIG 1 -5.525 3.392 1.136 0.00 0.00 +0.100 C ATOM 26 N LIG 1 -6.047 4.404 1.364 0.00 0.00 -0.191 NA ENDBRANCH 21 25 ENDBRANCH 10 15 ENDBRANCH 3 9 BRANCH 7 27 ATOM 27 C LIG 1 2.765 1.498 1.813 0.00 0.00 +0.142 C BRANCH 27 28 ATOM 28 N LIG 1 4.014 0.937 1.369 0.00 0.00 -0.277 N ATOM 29 H LIG 1 4.332 0.061 1.758 0.00 0.00 +0.152 HD ATOM 30 C LIG 1 4.602 1.301 0.198 0.00 0.00 +0.401 C ATOM 31 O LIG 1 4.242 2.224 -0.514 0.00 0.00 -0.226 OA BRANCH 30 32 ATOM 32 O LIG 1 5.637 0.463 -0.042 0.00 0.00 -0.445 OA BRANCH 32 33 ATOM 33 C LIG 1 6.434 0.597 -1.246 0.00 0.00 +0.107 C ATOM 34 C LIG 1 7.481 -0.524 -1.147 0.00 0.00 +0.055 C ATOM 35 C LIG 1 7.163 1.945 -1.287 0.00 0.00 +0.055 C ATOM 36 C LIG 1 5.587 0.365 -2.503 0.00 0.00 +0.055 C ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 7