REMARK Name = BDB031232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.190 -0.920 -0.190 0.00 0.00 +0.039 A ATOM 2 C LIG 1 1.881 0.068 -0.904 0.00 0.00 +0.041 A ATOM 3 C LIG 1 3.209 0.220 -0.589 0.00 0.00 +0.068 A ATOM 4 C LIG 1 3.845 -0.568 0.373 0.00 0.00 +0.067 A ATOM 5 N LIG 1 5.172 -0.163 0.446 0.00 0.00 -0.306 N ATOM 6 H LIG 1 5.897 -0.541 1.034 0.00 0.00 +0.170 HD ATOM 7 C LIG 1 5.380 0.876 -0.473 0.00 0.00 +0.325 A ATOM 8 O LIG 1 6.424 1.466 -0.681 0.00 0.00 -0.247 OA ATOM 9 C LIG 1 3.189 -1.556 1.070 0.00 0.00 +0.028 A ATOM 10 N LIG 1 4.149 1.104 -1.106 0.00 0.00 -0.306 N ATOM 11 H LIG 1 4.013 1.794 -1.827 0.00 0.00 +0.170 HD ATOM 12 C LIG 1 1.834 -1.736 0.774 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 13 O LIG 1 -0.507 -2.206 -1.060 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -0.239 -1.162 -0.473 0.00 0.00 +0.251 C ATOM 15 N LIG 1 -1.134 -0.203 -0.033 0.00 0.00 -0.267 N ATOM 16 C LIG 1 -2.525 -0.231 -0.245 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -3.135 0.842 0.408 0.00 0.00 -0.024 A ATOM 18 C LIG 1 -4.506 1.038 0.346 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -5.272 0.136 -0.394 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.662 -0.943 -1.050 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.138 1.658 1.164 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -3.278 -1.133 -0.977 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -0.813 0.994 0.768 0.00 0.00 +0.118 C ENDBRANCH 1 14 TORSDOF 1