REMARK Name = BDB039394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.581 2.713 -1.074 0.00 0.00 -0.341 N ATOM 2 C LIG 1 -2.736 1.666 -0.712 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -1.505 2.264 -0.407 0.00 0.00 +0.110 A ATOM 4 N LIG 1 -0.376 1.584 -0.091 0.00 0.00 -0.243 NA ATOM 5 C LIG 1 -0.479 0.244 -0.064 0.00 0.00 +0.072 A ATOM 6 C LIG 1 -1.673 -0.424 -0.328 0.00 0.00 +0.035 A ATOM 7 C LIG 1 -1.670 3.668 -0.473 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -2.874 0.262 -0.617 0.00 0.00 -0.006 A ATOM 9 C LIG 1 -2.956 3.924 -0.853 0.00 0.00 +0.111 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 0.774 -0.475 0.268 0.00 0.00 +0.001 A ATOM 11 C LIG 1 2.022 0.047 -0.145 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.187 -0.635 0.166 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.605 -0.285 -0.138 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.334 -1.436 0.381 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.503 -2.314 1.063 0.00 0.00 +0.248 C ATOM 16 O LIG 1 4.818 -3.307 1.690 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.132 -1.823 0.886 0.00 0.00 +0.042 A ATOM 18 C LIG 1 1.946 -2.371 1.325 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.766 -1.686 1.012 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.783 -1.469 0.532 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.283 -0.487 1.606 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.559 0.095 2.410 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.643 -0.276 1.621 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.961 0.383 2.319 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.492 -0.435 0.555 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.590 0.112 0.532 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.011 -1.329 -0.564 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.512 -1.184 -0.777 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 5 10 BRANCH 1 30 ATOM 29 C LIG 1 -5.156 3.555 -2.832 0.00 0.00 +0.030 C ATOM 30 C LIG 1 -4.925 2.608 -1.647 0.00 0.00 +0.081 C ATOM 31 C LIG 1 -5.993 2.811 -0.573 0.00 0.00 +0.030 C ENDBRANCH 1 30 BRANCH 7 32 ATOM 32 N LIG 1 -0.741 4.603 -0.209 0.00 0.00 -0.355 N ATOM 33 H LIG 1 -0.848 5.568 -0.497 0.00 0.00 +0.142 HD ATOM 34 H LIG 1 0.223 4.306 -0.071 0.00 0.00 +0.142 HD ENDBRANCH 7 32 BRANCH 8 35 ATOM 35 C LIG 1 -4.143 -0.543 -0.822 0.00 0.00 +0.121 C BRANCH 35 36 ATOM 36 N LIG 1 -4.259 -1.709 0.066 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -4.504 -1.340 1.465 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -4.977 -2.646 2.085 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.555 -3.452 0.927 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -5.392 -2.562 -0.296 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 6