REMARK Name = BDB032115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.046 0.433 0.361 0.00 0.00 +0.052 A ATOM 2 C LIG 1 1.033 -0.531 0.529 0.00 0.00 +0.136 A ATOM 3 N LIG 1 2.344 -0.343 0.220 0.00 0.00 -0.238 NA ATOM 4 C LIG 1 2.705 0.856 -0.278 0.00 0.00 +0.125 A ATOM 5 C LIG 1 1.793 1.879 -0.480 0.00 0.00 +0.045 A ATOM 6 C LIG 1 0.452 1.662 -0.156 0.00 0.00 +0.028 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.921 -0.858 1.197 0.00 0.00 +0.222 C ATOM 8 N LIG 1 -1.323 0.270 0.668 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -1.909 1.073 0.483 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.337 -1.899 1.486 0.00 0.00 -0.275 OA BRANCH 7 16 ATOM 11 C LIG 1 -5.680 -0.392 0.343 0.00 0.00 +0.088 C ATOM 12 C LIG 1 -5.948 0.701 1.407 0.00 0.00 +0.106 C ATOM 13 N LIG 1 -5.203 0.538 2.668 0.00 0.00 -0.303 NA ATOM 14 C LIG 1 -5.776 -0.522 3.499 0.00 0.00 +0.105 C ATOM 15 C LIG 1 -3.764 0.346 2.435 0.00 0.00 +0.097 C ATOM 16 C LIG 1 -3.429 -0.747 1.412 0.00 0.00 +0.091 C ATOM 17 C LIG 1 -4.175 -0.528 0.092 0.00 0.00 +0.037 C BRANCH 11 19 ATOM 18 C LIG 1 -7.725 -0.337 -1.034 0.00 0.00 +0.237 C ATOM 19 N LIG 1 -6.375 -0.109 -0.909 0.00 0.00 -0.308 N ATOM 20 H LIG 1 -5.897 0.425 -1.622 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 -8.420 -0.841 -0.164 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 -9.577 0.015 -2.600 0.00 0.00 +0.013 C ATOM 23 C LIG 1 -8.267 0.110 -2.343 0.00 0.00 +0.059 C ENDBRANCH 18 23 ENDBRANCH 11 19 ENDBRANCH 7 16 ENDBRANCH 1 8 BRANCH 4 24 ATOM 24 N LIG 1 4.062 0.956 -0.562 0.00 0.00 -0.265 N ATOM 25 H LIG 1 4.587 0.114 -0.352 0.00 0.00 +0.157 HD ATOM 26 C LIG 1 4.768 2.015 -1.076 0.00 0.00 +0.268 C ATOM 27 O LIG 1 4.319 3.110 -1.394 0.00 0.00 -0.268 OA BRANCH 26 28 ATOM 28 C LIG 1 6.232 1.724 -1.234 0.00 0.00 +0.126 A ATOM 29 N LIG 1 6.642 0.476 -0.859 0.00 0.00 -0.241 NA ATOM 30 C LIG 1 7.962 0.208 -1.000 0.00 0.00 +0.089 A ATOM 31 C LIG 1 8.878 1.130 -1.496 0.00 0.00 +0.030 A ATOM 32 C LIG 1 8.427 2.394 -1.870 0.00 0.00 +0.004 A ATOM 33 C LIG 1 7.079 2.702 -1.738 0.00 0.00 +0.033 A BRANCH 30 34 ATOM 34 C LIG 1 8.352 -1.132 -0.588 0.00 0.00 +0.084 A ATOM 35 N LIG 1 7.447 -2.040 -0.097 0.00 0.00 -0.275 N ATOM 36 H LIG 1 6.451 -1.897 0.032 0.00 0.00 +0.189 HD ATOM 37 N LIG 1 7.982 -3.229 0.232 0.00 0.00 -0.182 NA ATOM 38 C LIG 1 9.274 -3.079 -0.055 0.00 0.00 +0.135 A ATOM 39 C LIG 1 9.562 -1.800 -0.567 0.00 0.00 +0.050 A ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 TORSDOF 7