REMARK Name = BDB064924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.093 -0.843 -0.041 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -1.902 0.587 -0.594 0.00 0.00 +0.161 C ATOM 3 N LIG 1 -0.728 1.376 -0.202 0.00 0.00 -0.238 N ATOM 4 C LIG 1 -1.105 2.610 0.360 0.00 0.00 +0.254 C ATOM 5 C LIG 1 -2.573 2.644 0.424 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -3.483 3.559 0.949 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -4.833 3.129 0.963 0.00 0.00 +0.072 A ATOM 8 C LIG 1 -5.789 4.002 1.462 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -5.450 5.268 1.949 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -4.122 5.681 1.949 0.00 0.00 +0.001 A ATOM 11 N LIG 1 -5.224 1.900 0.547 0.00 0.00 -0.245 NA ATOM 12 C LIG 1 -4.282 1.069 0.059 0.00 0.00 +0.096 A ATOM 13 C LIG 1 -4.558 -0.371 -0.132 0.00 0.00 +0.096 C ATOM 14 N LIG 1 -5.738 -0.784 -0.451 0.00 0.00 -0.281 NA ATOM 15 C LIG 1 -5.890 -2.232 -0.611 0.00 0.00 +0.150 C ATOM 16 C LIG 1 -5.245 -2.981 0.538 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -3.772 -2.661 0.602 0.00 0.00 +0.169 C ATOM 18 O LIG 1 -2.987 -3.478 1.074 0.00 0.00 -0.292 OA ATOM 19 C LIG 1 -3.137 4.831 1.453 0.00 0.00 +0.011 A ATOM 20 O LIG 1 -0.405 3.554 0.675 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 -2.989 1.440 -0.081 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -3.374 -1.288 0.137 0.00 0.00 +0.063 C ENDROOT BRANCH 3 23 ATOM 23 C LIG 1 0.577 0.965 -0.232 0.00 0.00 +0.138 C ATOM 24 C LIG 1 1.220 0.248 -1.351 0.00 0.00 +0.036 A ATOM 25 C LIG 1 2.391 -0.172 -0.793 0.00 0.00 +0.040 A ATOM 26 C LIG 1 3.298 -0.973 -1.443 0.00 0.00 +0.096 A ATOM 27 N LIG 1 3.024 -1.345 -2.718 0.00 0.00 -0.245 NA ATOM 28 C LIG 1 1.924 -0.849 -3.334 0.00 0.00 +0.072 A ATOM 29 C LIG 1 1.721 -1.176 -4.667 0.00 0.00 +0.028 A ATOM 30 C LIG 1 0.666 -0.639 -5.409 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -0.200 0.271 -4.819 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -0.032 0.608 -3.477 0.00 0.00 +0.011 A ATOM 33 C LIG 1 4.449 -1.302 -0.699 0.00 0.00 +0.066 A ATOM 34 N LIG 1 5.387 -2.192 -1.301 0.00 0.00 -0.341 N ATOM 35 H LIG 1 5.264 -2.170 -2.318 0.00 0.00 +0.146 HD ATOM 36 C LIG 1 6.744 -1.953 -0.851 0.00 0.00 +0.109 C ATOM 37 C LIG 1 6.816 -2.186 0.637 0.00 0.00 +0.098 C ATOM 38 C LIG 1 5.845 -1.294 1.374 0.00 0.00 +0.168 C ATOM 39 O LIG 1 6.078 -1.034 2.553 0.00 0.00 -0.292 OA ATOM 40 C LIG 1 4.609 -0.832 0.646 0.00 0.00 +0.063 A ATOM 41 C LIG 1 3.644 0.038 1.245 0.00 0.00 +0.068 A ATOM 42 C LIG 1 2.518 0.340 0.467 0.00 0.00 +0.098 A ATOM 43 C LIG 1 0.990 0.014 -2.704 0.00 0.00 +0.011 A ATOM 44 N LIG 1 1.366 1.087 0.802 0.00 0.00 -0.229 NA BRANCH 41 45 ATOM 45 N LIG 1 3.806 0.542 2.552 0.00 0.00 -0.334 N ATOM 46 C LIG 1 3.243 -0.364 3.556 0.00 0.00 +0.129 C ATOM 47 C LIG 1 3.431 1.945 2.752 0.00 0.00 +0.129 C ENDBRANCH 41 45 ENDBRANCH 3 23 BRANCH 1 49 ATOM 48 C LIG 1 -0.608 -2.728 -0.731 0.00 0.00 +0.128 C ATOM 49 N LIG 1 -0.912 -1.582 0.140 0.00 0.00 -0.337 N ATOM 50 C LIG 1 -0.387 -1.755 1.508 0.00 0.00 +0.128 C ENDBRANCH 1 49 TORSDOF 3