REMARK Name = BDB063150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.655 -1.413 -0.812 0.00 0.00 +0.253 C ATOM 2 N LIG 1 -1.789 -2.128 0.133 0.00 0.00 -0.290 N ATOM 3 C LIG 1 -2.475 -3.327 0.393 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -3.710 -3.311 -0.269 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.630 -4.339 -0.171 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -4.297 -5.439 0.610 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -3.074 -5.470 1.295 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.154 -4.403 1.219 0.00 0.00 -0.028 A ATOM 9 C LIG 1 -0.909 -4.483 2.047 0.00 0.00 +0.046 C ATOM 10 N LIG 1 -3.899 -2.125 -1.016 0.00 0.00 -0.309 N ATOM 11 H LIG 1 -4.659 -1.583 -0.623 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 12 ATOM 12 C LIG 1 -0.334 -2.132 -0.134 0.00 0.00 +0.094 C ATOM 13 C LIG 1 0.205 -0.679 -0.053 0.00 0.00 +0.130 C ATOM 14 N LIG 1 1.659 -0.477 -0.077 0.00 0.00 -0.296 N ATOM 15 C LIG 1 2.081 0.837 0.089 0.00 0.00 +0.239 C ATOM 16 O LIG 1 1.310 1.736 0.424 0.00 0.00 -0.271 OA ATOM 17 C LIG 1 2.523 -1.628 -0.338 0.00 0.00 +0.108 C ATOM 18 C LIG 1 2.451 -2.100 -1.785 0.00 0.00 +0.019 C ATOM 19 C LIG 1 1.041 -2.240 -2.361 0.00 0.00 +0.003 C ATOM 20 C LIG 1 0.020 -2.901 -1.433 0.00 0.00 +0.024 C BRANCH 15 21 ATOM 21 C LIG 1 3.512 1.139 -0.171 0.00 0.00 +0.064 C ATOM 22 C LIG 1 4.080 2.225 0.378 0.00 0.00 -0.007 C BRANCH 22 23 ATOM 23 C LIG 1 5.506 2.633 0.150 0.00 0.00 +0.111 C BRANCH 23 24 ATOM 24 N LIG 1 5.706 3.927 -0.506 0.00 0.00 -0.305 NA ATOM 25 C LIG 1 5.141 3.973 -1.852 0.00 0.00 +0.104 C ATOM 26 C LIG 1 5.245 5.056 0.298 0.00 0.00 +0.104 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 15 21 ENDBRANCH 2 12 BRANCH 1 28 ATOM 27 C LIG 1 -3.220 0.955 -0.797 0.00 0.00 +0.247 C ATOM 28 N LIG 1 -2.978 -0.215 -0.131 0.00 0.00 -0.278 N ATOM 29 H LIG 1 -2.908 -0.276 0.870 0.00 0.00 +0.152 HD ATOM 30 O LIG 1 -3.346 1.043 -2.012 0.00 0.00 -0.270 OA BRANCH 27 36 ATOM 31 C LIG 1 -1.764 3.831 3.037 0.00 0.00 +0.065 C ATOM 32 C LIG 1 -2.665 3.545 1.873 0.00 0.00 +0.039 A ATOM 33 N LIG 1 -3.608 4.470 1.574 0.00 0.00 -0.260 NA ATOM 34 C LIG 1 -4.393 4.245 0.497 0.00 0.00 +0.112 A ATOM 35 C LIG 1 -4.299 3.119 -0.297 0.00 0.00 +0.033 A ATOM 36 C LIG 1 -3.347 2.164 0.047 0.00 0.00 +0.040 A ATOM 37 C LIG 1 -2.504 2.378 1.138 0.00 0.00 +0.036 A ENDBRANCH 27 36 ENDBRANCH 1 28 TORSDOF 6