REMARK Name = BDB011834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.729 -0.539 -0.511 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.428 0.639 0.129 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.591 0.898 -0.216 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.742 1.418 1.062 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.673 1.326 1.449 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.738 0.679 0.744 0.00 0.00 +0.058 A ATOM 7 C LIG 1 3.068 0.859 1.213 0.00 0.00 +0.025 A ATOM 8 C LIG 1 3.376 1.528 2.390 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.353 2.065 3.133 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.617 -0.088 -0.468 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.514 -1.082 -0.912 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.657 -1.364 -2.103 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.040 1.969 2.664 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.429 0.066 -1.276 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.247 -1.931 0.068 0.00 0.00 +0.037 A ATOM 16 C LIG 1 2.637 -2.403 1.234 0.00 0.00 +0.015 A ATOM 17 C LIG 1 3.356 -3.213 2.118 0.00 0.00 +0.023 A ATOM 18 C LIG 1 4.663 -3.612 1.822 0.00 0.00 +0.025 A ATOM 19 C LIG 1 5.274 -3.113 0.668 0.00 0.00 +0.023 A ATOM 20 C LIG 1 4.564 -2.303 -0.222 0.00 0.00 +0.015 A BRANCH 18 21 ATOM 21 N LIG 1 5.414 -4.321 2.766 0.00 0.00 -0.358 N ATOM 22 H LIG 1 6.195 -4.833 2.368 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 4.853 -4.900 3.384 0.00 0.00 +0.142 HD ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -2.383 -2.326 -0.890 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.669 -1.250 -1.384 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -2.149 -0.683 -2.073 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -2.147 -2.839 0.204 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -3.534 -2.802 -1.807 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -4.812 -2.098 -1.352 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -4.690 -4.854 -2.499 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -3.590 -4.273 -1.752 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -3.627 -4.561 -0.771 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -1.573 2.501 1.649 0.00 0.00 +0.173 C BRANCH 33 34 ATOM 34 C LIG 1 -1.140 3.854 1.176 0.00 0.00 +0.109 A ATOM 35 C LIG 1 -1.216 4.409 -0.131 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -0.668 5.671 0.015 0.00 0.00 +0.168 A ATOM 37 C LIG 1 -0.518 6.590 -1.020 0.00 0.00 +0.049 A ATOM 38 C LIG 1 -0.967 6.182 -2.280 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -1.537 4.920 -2.469 0.00 0.00 +0.001 A ATOM 40 O LIG 1 -0.314 5.863 1.312 0.00 0.00 -0.354 OA ATOM 41 C LIG 1 -1.672 4.019 -1.402 0.00 0.00 +0.013 A ATOM 42 N LIG 1 -0.623 4.734 2.050 0.00 0.00 -0.080 NA ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7