REMARK Name = BDB060612 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.564 -0.063 0.656 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.045 -0.210 1.901 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -1.443 -0.266 2.014 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.251 -0.173 0.882 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -1.643 -0.021 -0.367 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.249 0.033 -0.479 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.949 -0.128 1.415 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.959 0.007 0.458 0.00 0.00 -0.282 N ATOM 9 H LIG 1 2.260 0.104 -0.501 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.800 -0.394 2.600 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.985 0.308 -0.018 0.00 0.00 +0.034 A ATOM 12 C LIG 1 5.966 1.125 -0.527 0.00 0.00 +0.024 A ATOM 13 C LIG 1 4.650 1.001 -0.068 0.00 0.00 +0.015 A ATOM 14 C LIG 1 4.337 0.041 0.899 0.00 0.00 +0.037 A ATOM 15 C LIG 1 5.351 -0.763 1.423 0.00 0.00 +0.015 A ATOM 16 C LIG 1 6.667 -0.634 0.962 0.00 0.00 +0.024 A BRANCH 11 18 ATOM 17 C LIG 1 9.440 -0.134 -0.143 0.00 0.00 +0.241 C ATOM 18 N LIG 1 8.281 0.494 -0.541 0.00 0.00 -0.282 N ATOM 19 H LIG 1 8.376 1.204 -1.254 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 9.585 -0.917 0.787 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 10.654 0.532 -2.235 0.00 0.00 +0.013 C ATOM 22 C LIG 1 10.644 0.270 -0.921 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 N LIG 1 -3.654 -0.219 0.913 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -4.152 -0.129 0.031 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -4.485 -0.365 2.008 0.00 0.00 +0.267 C ATOM 26 O LIG 1 -4.157 -0.492 3.181 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 -5.938 -0.361 1.634 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -6.211 -0.177 0.310 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 -7.514 -0.176 -0.052 0.00 0.00 +0.089 A ATOM 30 C LIG 1 -8.551 -0.341 0.863 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -8.241 -0.530 2.209 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.910 -0.542 2.607 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 -7.727 0.031 -1.478 0.00 0.00 +0.084 A ATOM 34 N LIG 1 -8.894 -0.253 -2.141 0.00 0.00 -0.275 N ATOM 35 H LIG 1 -9.748 -0.649 -1.766 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -8.865 0.028 -3.455 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -7.628 0.485 -3.650 0.00 0.00 +0.135 A ATOM 38 C LIG 1 -6.877 0.503 -2.462 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 4 23 TORSDOF 7